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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 16
dimethyl 3-(3-methyl-1-butynyl)-1,4-cyclopentadiene-1,3-dicarboxylate
Molecular Formula:
C
14
H
16
O
4
Molecular Weight:
248.279 g/mol
Cas Number:
-
EINECS Number:
-
benzoylcysteine
Molecular Formula:
C
10
H
11
NO
3
S
Molecular Weight:
225.268 g/mol
Cas Number:
717-19-1
EINECS Number:
-
ethyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-7-carboxylate
Molecular Formula:
C
12
H
15
NO
3
Molecular Weight:
221.256 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 9-acetyloctahydro-9aH-quinolizine-1,9a-dicarboxylate
Molecular Formula:
C
15
H
23
NO
5
Molecular Weight:
297.351 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-chloro-5-ethoxy-1,3-oxazole-4-carboxylate
Molecular Formula:
C
8
H
10
ClNO
4
Molecular Weight:
219.624 g/mol
Cas Number:
-
EINECS Number:
-
1,1-difluoro-2,2,3-trimethylcyclopropane
Molecular Formula:
C
6
H
10
F
2
Molecular Weight:
120.142 g/mol
Cas Number:
-
EINECS Number:
-
diphenylmethanethione
Molecular Formula:
C
13
H
10
S
Molecular Weight:
198.288 g/mol
Cas Number:
1450-31-3
EINECS Number:
-
cyclohepta[de]naphthalene
Molecular Formula:
C
14
H
10
Molecular Weight:
178.233 g/mol
Cas Number:
-
EINECS Number:
-
4,5-dimethylbenzo-1,2-quinone
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
-
EINECS Number:
-
8,9b-dimethyl-4,4a-dihydro-dibenzofuran-3-one
Molecular Formula:
C
14
H
14
O
2
Molecular Weight:
214.264 g/mol
Cas Number:
546-24-7
EINECS Number:
-
methyl (2E)-3-(ethylsulfinyl)-2-propenoate
Molecular Formula:
C
6
H
10
O
3
S
Molecular Weight:
162.21 g/mol
Cas Number:
-
EINECS Number:
-
oxacyclotrideca-5,9-dien-2-one
Molecular Formula:
C
12
H
18
O
2
Molecular Weight:
194.274 g/mol
Cas Number:
-
EINECS Number:
-
1-(2,3,4,5,6-pentafluorophenyl)-1,3-dihydro-2H-azepin-2-one
Molecular Formula:
C
12
H
6
F
5
NO
Molecular Weight:
275.178 g/mol
Cas Number:
-
EINECS Number:
-
2,4,4,5-tetramethyl-2-cyclopenten-1-one
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dimethyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
-
EINECS Number:
-
1,3-diisopropyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one
Molecular Formula:
C
15
H
24
O
Molecular Weight:
220.355 g/mol
Cas Number:
-
EINECS Number:
-
benzyl(methyl)phenylphosphine oxide
Molecular Formula:
C
14
H
15
OP
Molecular Weight:
230.246 g/mol
Cas Number:
33838-34-5
EINECS Number:
-
3-undecanone
Molecular Formula:
C
11
H
22
O
Molecular Weight:
170.295 g/mol
Cas Number:
2216-87-7
EINECS Number:
218-700-1
3-heptanone
Molecular Formula:
C
7
H
14
O
Molecular Weight:
114.188 g/mol
Cas Number:
106-35-4
EINECS Number:
203-388-1
chloro-dicyclopentylborane
Molecular Formula:
C
10
H
18
BCl
Molecular Weight:
184.517 g/mol
Cas Number:
-
EINECS Number:
-
methyl dicyclopentylborinate
Molecular Formula:
C
11
H
21
BO
Molecular Weight:
180.098 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-2,2-dimethylpropyl acetate
Molecular Formula:
C
7
H
13
ClO
2
Molecular Weight:
164.632 g/mol
Cas Number:
-
EINECS Number:
-
1,3-diethylbenzene
Molecular Formula:
C
10
H
14
Molecular Weight:
134.221 g/mol
Cas Number:
141-93-5
EINECS Number:
205-511-4
1,3-diethylnaphthalene
Molecular Formula:
C
14
H
16
Molecular Weight:
184.281 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-propenyl acetate
Molecular Formula:
C
6
H
10
O
2
Molecular Weight:
114.144 g/mol
Cas Number:
6737-11-7
EINECS Number:
-
diethyl 2-(dichloromethylene)-1,1-hydrazinedicarboxylate
Molecular Formula:
C
7
H
10
Cl
2
N
2
O
4
Molecular Weight:
257.073 g/mol
Cas Number:
-
EINECS Number:
-
alpha-Methylcinnamic acid
Molecular Formula:
C
10
H
10
O
2
Molecular Weight:
162.188 g/mol
Cas Number:
1199-77-5
EINECS Number:
214-847-0
1-(2-furyl)-N,N,2-trimethyl-1-propen-1-amine
Molecular Formula:
C
10
H
15
NO
Molecular Weight:
165.235 g/mol
Cas Number:
-
EINECS Number:
-
1-chloro-N,N,2-trimethyl-1-propen-1-amine
Molecular Formula:
C
6
H
12
ClN
Molecular Weight:
133.621 g/mol
Cas Number:
26189-59-3
EINECS Number:
-
N,N-diethyl-1-(2-furyl)-2-methyl-1-propen-1-amine
Molecular Formula:
C
12
H
19
NO
Molecular Weight:
193.289 g/mol
Cas Number:
-
EINECS Number:
-
(5Z)-5-ethylidene-N,N,4,4-tetramethyl-1,3-dioxolan-2-amine
Molecular Formula:
C
9
H
17
NO
2
Molecular Weight:
171.24 g/mol
Cas Number:
-
EINECS Number:
-
3,4,4,6-tetramethyl-2-(4-phenylbutyl)-1,3-oxazinane
Molecular Formula:
C
18
H
29
NO
Molecular Weight:
275.434 g/mol
Cas Number:
-
EINECS Number:
-
5-phenylpentanal
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-3-methylene-2-piperidinone
Molecular Formula:
C
7
H
11
NO
Molecular Weight:
125.17 g/mol
Cas Number:
-
EINECS Number:
-
N,N,2-trimethyl-3-oxo-beta-alanine
Molecular Formula:
C
6
H
11
NO
3
Molecular Weight:
145.158 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-oxo-3-pyrrolidinecarboxylic acid
Molecular Formula:
C
6
H
9
NO
3
Molecular Weight:
143.142 g/mol
Cas Number:
-
EINECS Number:
-
1-azido-1,2,2-trimethylcyclopropane
Molecular Formula:
C
6
H
11
N
3
Molecular Weight:
125.174 g/mol
Cas Number:
-
EINECS Number:
-
2-[1-[(E)-2-cyclohexyl-vinyl]-hexoxy]-tetrahydro-pyran
Molecular Formula:
C
19
H
34
O
2
Molecular Weight:
294.478 g/mol
Cas Number:
-
EINECS Number:
-
cyclohexyl-thexyl-borane
Molecular Formula:
C
12
H
25
B
Molecular Weight:
180.141 g/mol
Cas Number:
-
EINECS Number:
-
4-methylbenzoic acid
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
99-94-5
EINECS Number:
202-803-3
2-[(Z)-2-cyclohexyl-1-methylethenyl]-1,3,2-benzodioxaborole
Molecular Formula:
C
15
H
19
BO
2
Molecular Weight:
242.126 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclohexylacetone
Molecular Formula:
C
9
H
16
O
Molecular Weight:
140.225 g/mol
Cas Number:
103-78-6
EINECS Number:
203-143-9
(1Z)-1-propenylcyclohexane
Molecular Formula:
C
9
H
16
Molecular Weight:
124.226 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dibutylbenzene
Molecular Formula:
C
14
H
22
Molecular Weight:
190.329 g/mol
Cas Number:
17171-74-3
EINECS Number:
-
2-methoxy-5,6,6-trimethyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide
Molecular Formula:
C
7
H
13
NO
4
S
Molecular Weight:
207.251 g/mol
Cas Number:
36743-52-9
EINECS Number:
-
methyl (2E)-2,4-pentadienoate
Molecular Formula:
C
6
H
8
O
2
Molecular Weight:
112.128 g/mol
Cas Number:
1515-75-9
EINECS Number:
-
5-pentyl-4-vinyl-5H-furan-2-one
Molecular Formula:
C
11
H
16
O
2
Molecular Weight:
180.247 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-undecene
Molecular Formula:
C
12
H
24
Molecular Weight:
168.323 g/mol
Cas Number:
18516-37-5
EINECS Number:
242-394-9
4,4'-dimethoxy-1,1'-biphenyl
Molecular Formula:
C
14
H
14
O
2
Molecular Weight:
214.264 g/mol
Cas Number:
2132-80-1
EINECS Number:
-
5-benzoyl-2-phenyl-1H-pyrrole-3-carbonitrile
Molecular Formula:
C
18
H
12
N
2
O
Molecular Weight:
272.306 g/mol
Cas Number:
-
EINECS Number:
-
(E)-N-(8-oxo-oxocan-2-ylidene)-benzamide
Molecular Formula:
C
14
H
15
NO
3
Molecular Weight:
245.278 g/mol
Cas Number:
-
EINECS Number:
-
11-cyanoundecanoic acid
Molecular Formula:
C
12
H
21
NO
2
Molecular Weight:
211.304 g/mol
Cas Number:
5810-18-4
EINECS Number:
-
3,4,5,6-tetrahydropyrido[1,2-a][1,3]diazonine-2,7-dione
Molecular Formula:
C
11
H
12
N
2
O
2
Molecular Weight:
204.229 g/mol
Cas Number:
-
EINECS Number:
-
2,2-diethoxy-4,4-dimethyl-1-oxaspiro[4.4]nonane
Molecular Formula:
C
14
H
26
O
3
Molecular Weight:
242.359 g/mol
Cas Number:
-
EINECS Number:
-
3,3-dimethylspiro[3.4]octan-1-one
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 4-oxooctanoate
Molecular Formula:
C
10
H
18
O
3
Molecular Weight:
186.251 g/mol
Cas Number:
37174-96-2
EINECS Number:
-
methyl (2E,6E)-10,11-dihydroxy-3,7,11-trimethyl-2,6-dodecadienoate
Molecular Formula:
C
16
H
28
O
4
Molecular Weight:
284.396 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E,6E)-10-hydroxy-3,7,11-trimethyl-2,6,11-dodecatrienoate
Molecular Formula:
C
16
H
26
O
3
Molecular Weight:
266.381 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E,6E,10E)-3,7,11-trimethyl-2,6,10-tridecatrienoate
Molecular Formula:
C
17
H
28
O
2
Molecular Weight:
264.408 g/mol
Cas Number:
-
EINECS Number:
-
2,2,3-trimethyl-4-pentenoic acid
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
Fluorescamine
Molecular Formula:
C
17
H
10
O
4
Molecular Weight:
278.264 g/mol
Cas Number:
38183-12-9
EINECS Number:
253-814-5
methyl 2-azabicyclo[3.1.0]hex-3-ene-2-carboxylate
Molecular Formula:
C
7
H
9
NO
2
Molecular Weight:
139.154 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-(2-ethoxy-2-oxoethyl)-1H-pyrrole-1-carboxylate
Molecular Formula:
C
10
H
13
NO
4
Molecular Weight:
211.218 g/mol
Cas Number:
-
EINECS Number:
-
dicyclohexyl[(1E)-1-hexenyl]borane
Molecular Formula:
C
18
H
33
B
Molecular Weight:
260.271 g/mol
Cas Number:
-
EINECS Number:
-
(1Z)-1-hexenylcyclohexane
Molecular Formula:
C
12
H
22
Molecular Weight:
166.307 g/mol
Cas Number:
-
EINECS Number:
-
2-(cyclohexyl-hydroxymethyl)hexanenitrile
Molecular Formula:
C
13
H
23
NO
Molecular Weight:
209.332 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethyl-5-(2-methyl-2-propenyl)benzo-1,4-quinone
Molecular Formula:
C
12
H
14
O
2
Molecular Weight:
190.242 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-1,4-benzenediol
Molecular Formula:
C
9
H
10
O
2
Molecular Weight:
150.177 g/mol
Cas Number:
5721-21-1
EINECS Number:
-
N-acetyl-N-benzoylbenzamide
Molecular Formula:
C
16
H
13
NO
3
Molecular Weight:
267.284 g/mol
Cas Number:
-
EINECS Number:
-
5-butyl-N,N-dichlorononan-5-amine
Molecular Formula:
C
13
H
27
Cl
2
N
Molecular Weight:
268.27 g/mol
Cas Number:
-
EINECS Number:
-
methylsulfanyl-methoxy-methyl-cyclohexane
Molecular Formula:
C
9
H
18
OS
Molecular Weight:
174.307 g/mol
Cas Number:
-
EINECS Number:
-
3-(4,4-dimethyltetrahydro-2H-pyran-2-yl)-1-propanol
Molecular Formula:
C
10
H
20
O
2
Molecular Weight:
172.268 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1,2,2-trimethylcyclopropanecarboxylate
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
1,3,5-trimethyl-1,3,5-triazinane
Molecular Formula:
C
6
H
15
N
3
Molecular Weight:
129.205 g/mol
Cas Number:
108-74-7
EINECS Number:
203-612-8
1,4-dimethyl-1,4,5,6-tetrahydro-1,2,3,4-tetraazine
Molecular Formula:
C
4
H
10
N
4
Molecular Weight:
114.15 g/mol
Cas Number:
39247-66-0
EINECS Number:
-
spiro[4.4]nona-2,7-diene-1,6-dione
Molecular Formula:
C
9
H
8
O
2
Molecular Weight:
148.161 g/mol
Cas Number:
39190-51-7
EINECS Number:
-
spiro[4.4]nona-1,3,7-triene
Molecular Formula:
C
9
H
10
Molecular Weight:
118.178 g/mol
Cas Number:
24430-29-3
EINECS Number:
-
5a-methoxy-2,3,4,4a,6,7,8,9-octahydro-1H-dibenzothiophene 5,5-dioxide
Molecular Formula:
C
13
H
20
O
3
S
Molecular Weight:
256.366 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-1-vinyl-4,8-dithiaspiro[2.5]octane
Molecular Formula:
C
9
H
14
S
2
Molecular Weight:
186.342 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-6,10-dithiaspiro[4.5]dec-2-ene
Molecular Formula:
C
9
H
14
S
2
Molecular Weight:
186.342 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-3-cyclopenten-1-one
Molecular Formula:
C
6
H
8
O
Molecular Weight:
96.129 g/mol
Cas Number:
-
EINECS Number:
-
3-oxabicyclo[3.2.0]hepta-1,4-diene
Molecular Formula:
C
6
H
6
O
Molecular Weight:
94.113 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)isoxazole
Molecular Formula:
C
13
H
19
NO
Molecular Weight:
205.3 g/mol
Cas Number:
39190-06-2
EINECS Number:
-
(2Z,3E)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one oxime
Molecular Formula:
C
13
H
21
NO
Molecular Weight:
207.316 g/mol
Cas Number:
-
EINECS Number:
-
3-amino-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone
Molecular Formula:
C
13
H
23
NO
Molecular Weight:
209.332 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
Molecular Formula:
C
13
H
20
O
Molecular Weight:
192.301 g/mol
Cas Number:
23726-91-2
EINECS Number:
245-843-7
7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one
Molecular Formula:
C
12
H
13
NO
Molecular Weight:
187.241 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl (2Z)-2-methyl-2-butenedioate
Molecular Formula:
C
7
H
10
O
4
Molecular Weight:
158.154 g/mol
Cas Number:
617-54-9
EINECS Number:
-
[cyclopropyl(dicyclopropylmethoxy)methyl]cyclopropane
Molecular Formula:
C
14
H
22
O
Molecular Weight:
206.328 g/mol
Cas Number:
-
EINECS Number:
-
Methyl 2-methylglycidate
Molecular Formula:
C
5
H
8
O
3
Molecular Weight:
116.117 g/mol
Cas Number:
58653-97-7
EINECS Number:
-
2-(4-methyl-3-cyclohexen-1-yl)-2-propanol
Molecular Formula:
C
10
H
18
O
Molecular Weight:
154.252 g/mol
Cas Number:
98-55-5
EINECS Number:
202-680-6
2-methoxy-4,6,8-trimethylazocine
Molecular Formula:
C
11
H
15
NO
Molecular Weight:
177.246 g/mol
Cas Number:
-
EINECS Number:
-
3,8-dimethyl-2-azabicyclo[4.2.0]octa-1,3,5-triene
Molecular Formula:
C
9
H
11
N
Molecular Weight:
133.193 g/mol
Cas Number:
-
EINECS Number:
-
nonanoic acid
Molecular Formula:
C
9
H
18
O
2
Molecular Weight:
158.241 g/mol
Cas Number:
112-05-0
EINECS Number:
203-931-2
Nonanenitrile
Molecular Formula:
C
9
H
17
N
Molecular Weight:
139.241 g/mol
Cas Number:
2243-27-8
EINECS Number:
218-808-9
1-phenylethyl nitrite
Molecular Formula:
C
8
H
9
NO
2
Molecular Weight:
151.165 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,5-dimethoxyphenyl)-4-hydroxy-2-pentanone
Molecular Formula:
C
13
H
18
O
4
Molecular Weight:
238.284 g/mol
Cas Number:
-
EINECS Number:
-
5-chlorohexanoic acid
Molecular Formula:
C
6
H
11
ClO
2
Molecular Weight:
150.605 g/mol
Cas Number:
-
EINECS Number:
-
5-chloro-1-hexanol
Molecular Formula:
C
6
H
13
ClO
Molecular Weight:
136.621 g/mol
Cas Number:
-
EINECS Number:
-
methyl 5-phenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
Molecular Formula:
C
12
H
13
NO
2
Molecular Weight:
203.241 g/mol
Cas Number:
-
EINECS Number:
-
1
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19
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