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Chemical Name
Cas Number
EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 59
2-phenyl-1,3-cyclopentanedione
Molecular Formula:
C
11
H
10
O
2
Molecular Weight:
174.199 g/mol
Cas Number:
-
EINECS Number:
-
methyl 5-ethyl-4-oxoheptanoate
Molecular Formula:
C
10
H
18
O
3
Molecular Weight:
186.251 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-2-(3-butenyl)-3-ethylidene-2-methylcyclopentanone
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
-
EINECS Number:
-
chloromethyl chloridocarbonate
Molecular Formula:
C
2
H
2
Cl
2
O
2
Molecular Weight:
128.942 g/mol
Cas Number:
22128-62-7
EINECS Number:
244-793-3
chloromethyl 4-nitrobenzyl carbonate
Molecular Formula:
C
9
H
8
ClNO
5
Molecular Weight:
245.619 g/mol
Cas Number:
-
EINECS Number:
-
5-tetrahydro-pyran-2-yloxy-pentanal
Molecular Formula:
C
10
H
18
O
3
Molecular Weight:
186.251 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-5,7-octadienyl tetrahydro-2H-pyran-2-yl ether
Molecular Formula:
C
13
H
22
O
2
Molecular Weight:
210.316 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-8-nitro-1,3-octadiene
Molecular Formula:
C
8
H
13
NO
2
Molecular Weight:
155.197 g/mol
Cas Number:
-
EINECS Number:
-
6,7-dimethyl-4,5,5a,6,7,8,8a,8b-octahydro-3H-naphtho[1,8-cd]isoxazole
Molecular Formula:
C
12
H
19
NO
Molecular Weight:
193.289 g/mol
Cas Number:
-
EINECS Number:
-
5-propa-1,2-dienyl-pyrrolidin-2-one
Molecular Formula:
C
7
H
9
NO
Molecular Weight:
123.155 g/mol
Cas Number:
-
EINECS Number:
-
4,5,5a,6,7,8-hexahydro-3H-naphtho[1,8-bc]furan-3-one
Molecular Formula:
C
11
H
12
O
2
Molecular Weight:
176.215 g/mol
Cas Number:
-
EINECS Number:
-
1-acetonylcyclohexane-1-carboxylic acid methyl ester
Molecular Formula:
C
11
H
18
O
3
Molecular Weight:
198.262 g/mol
Cas Number:
-
EINECS Number:
-
6-allyl-2-chloro-5-methoxynaphthoquinone
Molecular Formula:
C
14
H
11
ClO
3
Molecular Weight:
262.692 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one
Molecular Formula:
C
12
H
14
O
2
Molecular Weight:
190.242 g/mol
Cas Number:
6500-65-8
EINECS Number:
-
(3E)-4-phenyl-3-buten-1-ol
Molecular Formula:
C
10
H
12
O
Molecular Weight:
148.205 g/mol
Cas Number:
-
EINECS Number:
-
5-phenyl-1-pyrrolidin-1-ylpentan-1-one
Molecular Formula:
C
15
H
21
NO
Molecular Weight:
231.338 g/mol
Cas Number:
-
EINECS Number:
-
5-methoxy-1-indanone
Molecular Formula:
C
10
H
10
O
2
Molecular Weight:
162.188 g/mol
Cas Number:
5111-70-6
EINECS Number:
225-838-6
N,3-diphenylpropanamide
Molecular Formula:
C
15
H
15
NO
Molecular Weight:
225.29 g/mol
Cas Number:
3271-81-6
EINECS Number:
-
tetrahydro-2-furanylmethyl benzoate
Molecular Formula:
C
12
H
14
O
3
Molecular Weight:
206.241 g/mol
Cas Number:
2217-32-5
EINECS Number:
-
ethyl 4-methyl-2,5-dioxo-4-phenyl-3-pyrrolidinecarboxylate
Molecular Formula:
C
14
H
15
NO
4
Molecular Weight:
261.277 g/mol
Cas Number:
-
EINECS Number:
-
4-isopropyl-2-phenyl-4-propa-1,2-dienyl-oxazol-5-one
Molecular Formula:
C
15
H
15
NO
2
Molecular Weight:
241.29 g/mol
Cas Number:
-
EINECS Number:
-
1,3,4,6,7,9,9b-heptaazaphenalene
Molecular Formula:
C
6
H
3
N
7
Molecular Weight:
173.137 g/mol
Cas Number:
204-34-2
EINECS Number:
-
(2Z,4E)-6-oxo-2,4-heptadienoic acid
Molecular Formula:
C
7
H
8
O
3
Molecular Weight:
140.139 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E,4E)-6-oxo-2,4-heptadienoate
Molecular Formula:
C
8
H
10
O
3
Molecular Weight:
154.166 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-methoxy-2,4-dimethylpent-3-en-2-yl)-2-phenylpyrrolidine
Molecular Formula:
C
18
H
27
NO
Molecular Weight:
273.419 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1,3-undecadien-6-ol
Molecular Formula:
C
11
H
20
O
Molecular Weight:
168.279 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1-pentyl-3,5-hexadienyl carbamate
Molecular Formula:
C
12
H
21
NO
2
Molecular Weight:
211.304 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2Z)-2-[(3E)-undeca-1,3-dien-6-yl]oxycarbonyliminoacetate
Molecular Formula:
C
15
H
23
NO
4
Molecular Weight:
281.352 g/mol
Cas Number:
-
EINECS Number:
-
1-tert-butyl-4-propylidenecyclohexane
Molecular Formula:
C
13
H
24
Molecular Weight:
180.334 g/mol
Cas Number:
-
EINECS Number:
-
1-tert-butyl-4-(cyclohexylmethylene)cyclohexane
Molecular Formula:
C
17
H
30
Molecular Weight:
234.425 g/mol
Cas Number:
-
EINECS Number:
-
1-tert-butyl-4-cyclopropylidenecyclohexane
Molecular Formula:
C
13
H
22
Molecular Weight:
178.318 g/mol
Cas Number:
-
EINECS Number:
-
7-hexylidenenorcarane
Molecular Formula:
C
13
H
22
Molecular Weight:
178.318 g/mol
Cas Number:
-
EINECS Number:
-
[(E)-[2-(2-methyl-prop-1-enyl)-cyclopropylidene]-methyl]-benzene
Molecular Formula:
C
14
H
16
Molecular Weight:
184.281 g/mol
Cas Number:
-
EINECS Number:
-
1-[(E)-2-cyclohexylethenyl]-1-cyclohexene
Molecular Formula:
C
14
H
22
Molecular Weight:
190.329 g/mol
Cas Number:
-
EINECS Number:
-
1-[(1E,4Z)-1,4-heptadienyl]-1-cyclohexene
Molecular Formula:
C
13
H
20
Molecular Weight:
176.302 g/mol
Cas Number:
-
EINECS Number:
-
N-tert-butyl-1-(2-ethyl-5-heptylpyrrolidin-1-yl)methanimine
Molecular Formula:
C
18
H
36
N
2
Molecular Weight:
280.497 g/mol
Cas Number:
-
EINECS Number:
-
(E)-tert-butyl-(1,3-thiazinan-3-ylmethylene)amine
Molecular Formula:
C
9
H
18
N
2
S
Molecular Weight:
186.321 g/mol
Cas Number:
-
EINECS Number:
-
[1-[(E)-tert-butyliminomethyl]piperidin-2-yl]-phenylmethanol
Molecular Formula:
C
17
H
26
N
2
O
Molecular Weight:
274.406 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-5-heptylpyrrolidine
Molecular Formula:
C
13
H
27
N
Molecular Weight:
197.364 g/mol
Cas Number:
-
EINECS Number:
-
N-tert-butyl-1-(2-butylpyrrolidin-1-yl)methanimine
Molecular Formula:
C
13
H
26
N
2
Molecular Weight:
210.363 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (3E)-2-amino-4-fluoro-3-(3-methoxyphenyl)-3-butenoate
Molecular Formula:
C
13
H
16
FNO
3
Molecular Weight:
253.273 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-3-(3-hydroxy-3-oxoprop-1-en-2-yl)oxybenzoic acid
Molecular Formula:
C
10
H
8
O
6
Molecular Weight:
224.17 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-(3-oxo-1-cyclohexen-1-yl)propanoate
Molecular Formula:
C
11
H
16
O
3
Molecular Weight:
196.246 g/mol
Cas Number:
-
EINECS Number:
-
1-azaspiro[4.5]decane-2,7-dione
Molecular Formula:
C
9
H
13
NO
2
Molecular Weight:
167.208 g/mol
Cas Number:
-
EINECS Number:
-
4-ethyl 1,2-dimethyl (1Z)-1-butene-1,2,4-tricarboxylate
Molecular Formula:
C
11
H
16
O
6
Molecular Weight:
244.244 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E,4E)-4-methyl-2,4-hexadienoate
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (3E)-4-methyl-3,5-hexadienoate
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-[(Z)-1,2-dichloroethenyl]-2-ethylmalonate
Molecular Formula:
C
11
H
16
Cl
2
O
4
Molecular Weight:
283.151 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-ethyl-2-ethynylmalonate
Molecular Formula:
C
11
H
16
O
4
Molecular Weight:
212.246 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-(chloroethynyl)cyclohexanecarboxylate
Molecular Formula:
C
10
H
13
ClO
2
Molecular Weight:
200.665 g/mol
Cas Number:
-
EINECS Number:
-
2,6-dimethyl-6-(phenylethynyl)-2-cyclohexen-1-one
Molecular Formula:
C
16
H
16
O
Molecular Weight:
224.302 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-thiophen-2-ylprop-2-ynyl)-1,3-dioxolane
Molecular Formula:
C
10
H
10
O
2
S
Molecular Weight:
194.254 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2-[(1E,3E)-5-methyl-1,3-hexadienyl]-1,3-dioxolane
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-1-heptanol
Molecular Formula:
C
13
H
20
O
Molecular Weight:
192.301 g/mol
Cas Number:
614-54-0
EINECS Number:
-
1-bromo-2-methylenecyclopropane
Molecular Formula:
C
4
H
5
Br
Molecular Weight:
132.988 g/mol
Cas Number:
-
EINECS Number:
-
benzo[a]azulene
Molecular Formula:
C
14
H
10
Molecular Weight:
178.233 g/mol
Cas Number:
-
EINECS Number:
-
cyclohepta[b]pyrrole
Molecular Formula:
C
9
H
7
N
Molecular Weight:
129.161 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-(1,3a,4,5,6,6a-hexahydro-1-pentalenyl)-2-hydroxymalonate
Molecular Formula:
C
15
H
22
O
5
Molecular Weight:
282.337 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-[(2E)-4-(2-cyclopenten-1-yl)-2-butenyl]-2-hydroxymalonate
Molecular Formula:
C
16
H
24
O
5
Molecular Weight:
296.364 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl (3Z)-3-dodecenedioate
Molecular Formula:
C
14
H
24
O
4
Molecular Weight:
256.342 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-hydroxy-2-(3-methyl-2-butenyl)malonate
Molecular Formula:
C
12
H
20
O
5
Molecular Weight:
244.288 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-cinnamyl-2-hydroxypropanedioate
Molecular Formula:
C
16
H
20
O
5
Molecular Weight:
292.332 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-(1-cyclohexen-1-ylmethyl)-2-hydroxymalonate
Molecular Formula:
C
14
H
22
O
5
Molecular Weight:
270.326 g/mol
Cas Number:
-
EINECS Number:
-
diethyl-penta-1,2-dien-3-ylborane
Molecular Formula:
C
9
H
17
B
Molecular Weight:
136.045 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl (3E,5E)-2-oxo-3,5-heptadienylphosphonate
Molecular Formula:
C
9
H
15
O
4
P
Molecular Weight:
218.189 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 8-methyl-11-oxobicyclo[4.4.1]undeca-2,4,8-triene-2-carboxylate
Molecular Formula:
C
15
H
18
O
3
Molecular Weight:
246.306 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-1-(chloromethyl)ethyl benzoate
Molecular Formula:
C
10
H
10
Cl
2
O
2
Molecular Weight:
233.094 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-1-methylethyl benzoate
Molecular Formula:
C
10
H
11
ClO
2
Molecular Weight:
198.649 g/mol
Cas Number:
-
EINECS Number:
-
benzyl (3,3-dimethyl-2-methylenecyclohexyl)acetate
Molecular Formula:
C
18
H
24
O
2
Molecular Weight:
272.387 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2-methylenecyclopentyl)acetate
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
methyl (3-methyl-2-cyclopenten-1-yl)acetate
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3,3-bis(ethylsulfanyl)acrylate
Molecular Formula:
C
9
H
16
O
2
S
2
Molecular Weight:
220.357 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethyl-2-(phenylsulfanyl)-1,3-dioxolane
Molecular Formula:
C
11
H
14
O
2
S
Molecular Weight:
210.297 g/mol
Cas Number:
-
EINECS Number:
-
1-chloro-6-tetrahydro-pyran-2-yloxy-hept-4-yn-2-ol
Molecular Formula:
C
12
H
19
ClO
3
Molecular Weight:
246.734 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-3,5-dioxohexanoic acid
Molecular Formula:
C
7
H
10
O
4
Molecular Weight:
158.154 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxy-5,6-dimethyl-2H-pyran-2-one
Molecular Formula:
C
8
H
10
O
3
Molecular Weight:
154.166 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-3-(4-methoxyphenyl)-1-phenyl-2-propen-1-one
Molecular Formula:
C
16
H
14
O
2
Molecular Weight:
238.286 g/mol
Cas Number:
959-33-1
EINECS Number:
213-499-7
1-methyl-2-propyl-1H-indole
Molecular Formula:
C
12
H
15
N
Molecular Weight:
173.258 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-2H-chromene
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-propyl-1-benzofuran-3-carboxylate
Molecular Formula:
C
13
H
14
O
3
Molecular Weight:
218.252 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E)-3-(2-propyl-1-benzofuran-3-yl)-2-propenoate
Molecular Formula:
C
15
H
16
O
3
Molecular Weight:
244.29 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxy-6-phenyl-5,6-dihydro-2H-pyran-2-one
Molecular Formula:
C
12
H
12
O
3
Molecular Weight:
204.225 g/mol
Cas Number:
17298-18-9
EINECS Number:
-
Anatoxin
Molecular Formula:
C
10
H
15
NO
Molecular Weight:
165.235 g/mol
Cas Number:
64285-06-9
EINECS Number:
-
1-(9-azabicyclo[4.2.1]non-2-yl)ethanone
Molecular Formula:
C
10
H
17
NO
Molecular Weight:
167.251 g/mol
Cas Number:
-
EINECS Number:
-
phenyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
Molecular Formula:
C
17
H
21
NO
3
Molecular Weight:
287.359 g/mol
Cas Number:
-
EINECS Number:
-
benzyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentanoate
Molecular Formula:
C
16
H
20
O
5
Molecular Weight:
292.332 g/mol
Cas Number:
-
EINECS Number:
-
Methylidene-triphenylphosphorane
Molecular Formula:
C
19
H
17
P
Molecular Weight:
276.318 g/mol
Cas Number:
3487-44-3
EINECS Number:
-
1,3,3-trimethyl-8-oxospiro[4.4]nona-1,6-diene-2-carbaldehyde
Molecular Formula:
C
13
H
16
O
2
Molecular Weight:
204.269 g/mol
Cas Number:
-
EINECS Number:
-
3a-acetyl-2,2-dimethyl-5-oxooctahydro-1-pentalenecarbaldehyde
Molecular Formula:
C
13
H
18
O
3
Molecular Weight:
222.284 g/mol
Cas Number:
-
EINECS Number:
-
3a-acetyl-5,5-dimethyl-3a,4,5,6-tetrahydro-1H-inden-1-one
Molecular Formula:
C
13
H
16
O
2
Molecular Weight:
204.269 g/mol
Cas Number:
-
EINECS Number:
-
[(1E)-3-methyl-1-butenyl]benzene
Molecular Formula:
C
11
H
14
Molecular Weight:
146.232 g/mol
Cas Number:
-
EINECS Number:
-
5,5-dimethyl-1-cyclohexen-1-yl trifluoroacetate
Molecular Formula:
C
10
H
13
F
3
O
2
Molecular Weight:
222.207 g/mol
Cas Number:
-
EINECS Number:
-
3-[(2E)-3-(5,5-dimethyl-1-cyclohexen-1-yl)-2-propenyl]furan
Molecular Formula:
C
15
H
20
O
Molecular Weight:
216.323 g/mol
Cas Number:
-
EINECS Number:
-
1-furan-3-yl-4-methylpentan-1-one
Molecular Formula:
C
10
H
14
O
2
Molecular Weight:
166.22 g/mol
Cas Number:
553-84-4
EINECS Number:
-
benzyl (2E)-3-(2-cyclohexen-1-yl)-2-propenoate
Molecular Formula:
C
16
H
18
O
2
Molecular Weight:
242.318 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-methylene-4-pentenoate
Molecular Formula:
C
7
H
10
O
2
Molecular Weight:
126.155 g/mol
Cas Number:
51122-89-5
EINECS Number:
-
methyl (2Z)-3-methoxy-2,5-hexadienoate
Molecular Formula:
C
8
H
12
O
3
Molecular Weight:
156.181 g/mol
Cas Number:
-
EINECS Number:
-
11,12-dimethylbicyclo[5.3.2]dodeca-6,11-dien-2-one
Molecular Formula:
C
14
H
20
O
Molecular Weight:
204.312 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dimethyl-1,5-hexadiene
Molecular Formula:
C
8
H
14
Molecular Weight:
110.199 g/mol
Cas Number:
627-58-7
EINECS Number:
211-003-3
(1E)-N,N,3-trimethyl-1-buten-1-amine
Molecular Formula:
C
7
H
15
N
Molecular Weight:
113.203 g/mol
Cas Number:
-
EINECS Number:
-
1
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