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Chemical Name
Cas Number
EINECS Number
MDL Number
Molecular Formula
InChIKey
Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 52
2-aminobenzonitrile
Molecular Formula:
C
7
H
6
N
2
Molecular Weight:
118.138 g/mol
Cas Number:
1885-29-6
EINECS Number:
217-549-9
methyl 1-oxaspiro[2.5]octane-2-carboxylate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
33717-87-2
EINECS Number:
-
methyl 3,3-dimethyl-5-oxocyclohexanecarboxylate
Molecular Formula:
C
10
H
16
O
3
Molecular Weight:
184.235 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E)-5-methyl-2,4-hexadienoate
Molecular Formula:
C
8
H
12
O
2
Molecular Weight:
140.182 g/mol
Cas Number:
-
EINECS Number:
-
1-(dichloromethyl)cyclohexanol
Molecular Formula:
C
7
H
12
Cl
2
O
Molecular Weight:
183.077 g/mol
Cas Number:
-
EINECS Number:
-
propyl perchlorate
Molecular Formula:
C
3
H
7
ClO
4
Molecular Weight:
142.539 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-1-perchlorylaziridine
Molecular Formula:
C
4
H
8
ClNO
3
Molecular Weight:
153.565 g/mol
Cas Number:
-
EINECS Number:
-
(Z)-N-ethylidene-3-nitrobenzenesulfinamide
Molecular Formula:
C
8
H
8
N
2
O
3
S
Molecular Weight:
212.229 g/mol
Cas Number:
-
EINECS Number:
-
3-cyclohexylidene-N,N-dimethylbutanamide
Molecular Formula:
C
12
H
21
NO
Molecular Weight:
195.305 g/mol
Cas Number:
-
EINECS Number:
-
cyclotridecanone
Molecular Formula:
C
13
H
24
O
Molecular Weight:
196.333 g/mol
Cas Number:
832-10-0
EINECS Number:
212-615-3
7-methoxy-4,6,7,7a-tetrahydro-3aH-isobenzofuran-1,3,5-trione
Molecular Formula:
C
9
H
10
O
5
Molecular Weight:
198.175 g/mol
Cas Number:
-
EINECS Number:
-
1-ethylindoline
Molecular Formula:
C
10
H
13
N
Molecular Weight:
147.22 g/mol
Cas Number:
-
EINECS Number:
-
Naphthalene
Molecular Formula:
C
10
H
8
Molecular Weight:
128.174 g/mol
Cas Number:
91-20-3
EINECS Number:
202-049-5
5-hydroxy-2,2,6,6-tetramethyl-3-heptanone
Molecular Formula:
C
11
H
22
O
2
Molecular Weight:
186.294 g/mol
Cas Number:
-
EINECS Number:
-
2-[(1E)-1-octenyl]-1,3,2-benzodioxaborole
Molecular Formula:
C
14
H
19
BO
2
Molecular Weight:
230.115 g/mol
Cas Number:
-
EINECS Number:
-
2,3,6,7-tetramethoxyphenanthrene
Molecular Formula:
C
18
H
18
O
4
Molecular Weight:
298.339 g/mol
Cas Number:
-
EINECS Number:
-
3-acetonyl-2,2-dimethyl-cyclobutane-1-carboxylic acid
Molecular Formula:
C
10
H
16
O
3
Molecular Weight:
184.235 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-1-octanol
Molecular Formula:
C
8
H
17
ClO
Molecular Weight:
164.675 g/mol
Cas Number:
-
EINECS Number:
-
11-hydroxy-2-tridecanone
Molecular Formula:
C
13
H
26
O
2
Molecular Weight:
214.348 g/mol
Cas Number:
-
EINECS Number:
-
methyl 4-tert-butyl-1-cyclohexene-1-carboxylate
Molecular Formula:
C
12
H
20
O
2
Molecular Weight:
196.29 g/mol
Cas Number:
-
EINECS Number:
-
2-ethylcyclohexanone
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
4423-94-3
EINECS Number:
-
1,5-cyclooctadecadiene
Molecular Formula:
C
18
H
32
Molecular Weight:
248.452 g/mol
Cas Number:
-
EINECS Number:
-
Indoline
Molecular Formula:
C
8
H
9
N
Molecular Weight:
119.166 g/mol
Cas Number:
496-15-1
EINECS Number:
207-816-8
5-phenyl-2H-tetraazole
Molecular Formula:
C
7
H
6
N
4
Molecular Weight:
146.152 g/mol
Cas Number:
18039-42-4
EINECS Number:
241-950-8
1,2-Benzopyran
Molecular Formula:
C
9
H
8
O
Molecular Weight:
132.162 g/mol
Cas Number:
254-04-6
EINECS Number:
-
6-isopropyl-1-methyl-3,4-dihydro-1H-naphthalen-2-one
Molecular Formula:
C
14
H
18
O
Molecular Weight:
202.296 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-4-(2-phenyl-ethynylsulfanyl)-benzene
Molecular Formula:
C
15
H
12
S
Molecular Weight:
224.326 g/mol
Cas Number:
-
EINECS Number:
-
Bisphenol A
Molecular Formula:
C
15
H
16
O
2
Molecular Weight:
228.291 g/mol
Cas Number:
80-05-7
EINECS Number:
201-245-8
2-(4-methoxyphenyl)ethanol
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
702-23-8
EINECS Number:
211-866-6
1-methoxy-2-(2-methylcyclopropyl)benzene
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
methyl 6,8-disulfanyloctanoate
Molecular Formula:
C
9
H
18
O
2
S
2
Molecular Weight:
222.373 g/mol
Cas Number:
50628-93-8
EINECS Number:
-
(2-hydroxyphenyl)(phenyl)methanone
Molecular Formula:
C
13
H
10
O
2
Molecular Weight:
198.221 g/mol
Cas Number:
117-99-7
EINECS Number:
204-226-2
ethyl 5,6-dimethoxy-3-methyl-1H-indene-2-carboxylate
Molecular Formula:
C
15
H
18
O
4
Molecular Weight:
262.306 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-4-(1-nitro-ethylsulfonyl)-benzene
Molecular Formula:
C
9
H
11
NO
4
S
Molecular Weight:
229.257 g/mol
Cas Number:
-
EINECS Number:
-
phenylcarbonimidic dichloride
Molecular Formula:
C
7
H
5
Cl
2
N
Molecular Weight:
174.029 g/mol
Cas Number:
622-44-6
EINECS Number:
210-735-0
methyl 2-(2-oxoethyl)-2,3-butadienoate
Molecular Formula:
C
7
H
8
O
3
Molecular Weight:
140.139 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 4-vinyl-1-cyclohexene-1,4-dicarboxylate
Molecular Formula:
C
12
H
16
O
4
Molecular Weight:
224.257 g/mol
Cas Number:
-
EINECS Number:
-
6H-benzo[c]chromene
Molecular Formula:
C
13
H
10
O
Molecular Weight:
182.222 g/mol
Cas Number:
229-95-8
EINECS Number:
-
5-phenyl-3,4,5,7-tetrahydrocyclohepta[b]pyran-6(2H)-one
Molecular Formula:
C
16
H
16
O
2
Molecular Weight:
240.302 g/mol
Cas Number:
-
EINECS Number:
-
1a,6b-dimethyl-1a,6b-dihydrooxireno[2,3-b][1]benzofuran
Molecular Formula:
C
10
H
10
O
2
Molecular Weight:
162.188 g/mol
Cas Number:
-
EINECS Number:
-
1-dodecen-4-one
Molecular Formula:
C
12
H
22
O
Molecular Weight:
182.306 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 6-methyl-4-oxo-6-heptenoate
Molecular Formula:
C
10
H
16
O
3
Molecular Weight:
184.235 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclopentyl-4-methyl-4-penten-2-one
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
-
EINECS Number:
-
1-methoxy-4-methylbenzene
Molecular Formula:
C
8
H
10
O
Molecular Weight:
122.167 g/mol
Cas Number:
104-93-8
EINECS Number:
203-253-7
3-(cyclohexylamino)-1,4,5,6-tetrahydro-2H-indol-2-one
Molecular Formula:
C
14
H
20
N
2
O
Molecular Weight:
232.326 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-methyl-3-piperidinyl)acetone
Molecular Formula:
C
9
H
17
NO
Molecular Weight:
155.24 g/mol
Cas Number:
-
EINECS Number:
-
benzyl 3-(2-methoxy-2-oxoethyl)-1-pyrrolidinecarboxylate
Molecular Formula:
C
15
H
19
NO
4
Molecular Weight:
277.32 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-benzyl-2-azepanyl)acetone
Molecular Formula:
C
16
H
23
NO
Molecular Weight:
245.365 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E)-4-hydroxy-2-octenoate
Molecular Formula:
C
9
H
16
O
3
Molecular Weight:
172.224 g/mol
Cas Number:
-
EINECS Number:
-
1-[(2Z)-2-decenyl]cyclohexanol
Molecular Formula:
C
16
H
30
O
Molecular Weight:
238.414 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-4-nitrophenol
Molecular Formula:
C
7
H
7
NO
4
Molecular Weight:
169.137 g/mol
Cas Number:
3251-56-7
EINECS Number:
221-839-0
7-(4-tert-butylphenyl)-2-heptanone
Molecular Formula:
C
17
H
26
O
Molecular Weight:
246.393 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-hydroxy-2,2,5-trimethylhexanoate
Molecular Formula:
C
11
H
22
O
3
Molecular Weight:
202.294 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 1,1-cyclohexanedicarboxylate
Molecular Formula:
C
12
H
20
O
4
Molecular Weight:
228.288 g/mol
Cas Number:
1139-13-5
EINECS Number:
-
diethyl 3-vinyl-1,1-cyclopentanedicarboxylate
Molecular Formula:
C
13
H
20
O
4
Molecular Weight:
240.299 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 3-(2-cyanoethyl)-1,1-cyclohexanedicarboxylate
Molecular Formula:
C
15
H
23
NO
4
Molecular Weight:
281.352 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 3-methyl-3-cyclopentene-1,1-dicarboxylate
Molecular Formula:
C
12
H
18
O
4
Molecular Weight:
226.273 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-1-nonenylcyclohexane
Molecular Formula:
C
15
H
28
Molecular Weight:
208.387 g/mol
Cas Number:
-
EINECS Number:
-
1,2-nonadienylcyclohexane
Molecular Formula:
C
15
H
26
Molecular Weight:
206.371 g/mol
Cas Number:
-
EINECS Number:
-
gona-1,3,5(10),8,13-pentaene
Molecular Formula:
C
17
H
18
Molecular Weight:
222.33 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
Molecular Formula:
C
12
H
15
NO
4
Molecular Weight:
237.255 g/mol
Cas Number:
-
EINECS Number:
-
6-phenyl-6H-borepino[4,5-c]thiophene
Molecular Formula:
C
14
H
11
BS
Molecular Weight:
222.118 g/mol
Cas Number:
-
EINECS Number:
-
1,2-bis(dimethoxymethyl)cyclopentane
Molecular Formula:
C
11
H
22
O
4
Molecular Weight:
218.293 g/mol
Cas Number:
-
EINECS Number:
-
1,2-bis(dimethoxymethyl)cyclohexane
Molecular Formula:
C
12
H
24
O
4
Molecular Weight:
232.32 g/mol
Cas Number:
-
EINECS Number:
-
1,2-bis(dimethoxymethyl)cycloheptane
Molecular Formula:
C
13
H
26
O
4
Molecular Weight:
246.347 g/mol
Cas Number:
-
EINECS Number:
-
1,2-bis(dimethoxymethyl)cyclooctane
Molecular Formula:
C
14
H
28
O
4
Molecular Weight:
260.374 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl 2-tert-butyl-2-cyclopropene-1-carboxylate
Molecular Formula:
C
12
H
20
O
2
Molecular Weight:
196.29 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E,4E)-8-chloro-2,4-octadienoate
Molecular Formula:
C
10
H
15
ClO
2
Molecular Weight:
202.681 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E,4E)-8-azido-2,4-octadienoate
Molecular Formula:
C
10
H
15
N
3
O
2
Molecular Weight:
209.248 g/mol
Cas Number:
-
EINECS Number:
-
3-(4-cyano-phenyl)-benzoic acid ethyl ester
Molecular Formula:
C
16
H
13
NO
2
Molecular Weight:
251.285 g/mol
Cas Number:
131379-34-5
EINECS Number:
-
tert-butyl 4-[(1E)-5-cyano-1-pentenyl]benzoate
Molecular Formula:
C
17
H
21
NO
2
Molecular Weight:
271.359 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-9-cyano-4-hydroxy-5-nonenyl pivalate
Molecular Formula:
C
15
H
25
NO
3
Molecular Weight:
267.368 g/mol
Cas Number:
-
EINECS Number:
-
benzyl (2Z)-5,5-dimethyl-4-oxo-2-hexenoate
Molecular Formula:
C
15
H
18
O
3
Molecular Weight:
246.306 g/mol
Cas Number:
-
EINECS Number:
-
benzyl (2Z)-4-(benzyloxy)-2,4-pentadienoate
Molecular Formula:
C
19
H
18
O
3
Molecular Weight:
294.35 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-5-nonanone
Molecular Formula:
C
10
H
20
O
Molecular Weight:
156.268 g/mol
Cas Number:
35900-26-6
EINECS Number:
-
1-methylcyclohexanecarbaldehyde
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-methylhexanoate
Molecular Formula:
C
9
H
18
O
2
Molecular Weight:
158.241 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2,3,4,5,6,7-hexahydro-1H-inden-2-ol
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-2-ol
Molecular Formula:
C
15
H
18
O
Molecular Weight:
214.307 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-methyl-1-cyclohexen-1-yl)acetone
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-allyl-2-(2-cyclopropylideneethyl)malonate
Molecular Formula:
C
13
H
18
O
4
Molecular Weight:
238.284 g/mol
Cas Number:
-
EINECS Number:
-
methyl 4-cyclopropylidene-2-(phenylsulfonyl)butanoate
Molecular Formula:
C
14
H
16
O
4
S
Molecular Weight:
280.345 g/mol
Cas Number:
-
EINECS Number:
-
(1-vinylcyclopropyl)benzene
Molecular Formula:
C
11
H
12
Molecular Weight:
144.216 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-2,5-dihydrofuran
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dimethyl-2-phenyl-2,5-dihydrofuran
Molecular Formula:
C
12
H
14
O
Molecular Weight:
174.243 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,3-dimethyltetrahydro-2-furanyl)-3-methyl-4-penten-2-one
Molecular Formula:
C
12
H
20
O
2
Molecular Weight:
196.29 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,3-dimethyltetrahydro-2H-pyran-2-yl)-3-methyl-4-penten-2-one
Molecular Formula:
C
13
H
22
O
2
Molecular Weight:
210.316 g/mol
Cas Number:
-
EINECS Number:
-
5-benzyl-3,4-dihydro-2H-pyrrole
Molecular Formula:
C
11
H
13
N
Molecular Weight:
159.231 g/mol
Cas Number:
69311-30-4
EINECS Number:
-
5-pentyl-3,4-dihydro-2H-pyrrole
Molecular Formula:
C
9
H
17
N
Molecular Weight:
139.241 g/mol
Cas Number:
-
EINECS Number:
-
6-pentyl-2,3,4,5-tetrahydropyridine
Molecular Formula:
C
10
H
19
N
Molecular Weight:
153.268 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1-phenyl-3-buten-1-ol
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1-phenyl-3-buten-1-one
Molecular Formula:
C
11
H
12
O
Molecular Weight:
160.216 g/mol
Cas Number:
-
EINECS Number:
-
2-butyl-7-phenyl-4-propyloxepine
Molecular Formula:
C
19
H
24
O
Molecular Weight:
268.399 g/mol
Cas Number:
-
EINECS Number:
-
2-butyl-6-phenyl-4-propylphenol
Molecular Formula:
C
19
H
24
O
Molecular Weight:
268.399 g/mol
Cas Number:
-
EINECS Number:
-
methyl (7-phenyl-4-propyl-2-oxepinyl)methyl ether
Molecular Formula:
C
17
H
20
O
2
Molecular Weight:
256.345 g/mol
Cas Number:
-
EINECS Number:
-
2-(methoxymethyl)-6-phenyl-4-propylphenol
Molecular Formula:
C
17
H
20
O
2
Molecular Weight:
256.345 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-5,6,7,8-tetrahydro-1-naphthalenol
Molecular Formula:
C
16
H
16
O
Molecular Weight:
224.302 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3-phenylsulfanylbut-3-en-2-ol
Molecular Formula:
C
11
H
14
OS
Molecular Weight:
194.298 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylsulfanyl-prop-2-enyl-amine
Molecular Formula:
C
9
H
11
NS
Molecular Weight:
165.259 g/mol
Cas Number:
-
EINECS Number:
-
N-cyclohexyl-2,2,2-trifluoro-1-phenylethanimine
Molecular Formula:
C
14
H
16
F
3
N
Molecular Weight:
255.283 g/mol
Cas Number:
-
EINECS Number:
-
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