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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 57
4-methylene-2-phenyl-1-propylpyrrolidine
Molecular Formula:
C
14
H
19
N
Molecular Weight:
201.312 g/mol
Cas Number:
-
EINECS Number:
-
2-isopropyl-4-methylene-1-propylpyrrolidine
Molecular Formula:
C
11
H
21
N
Molecular Weight:
167.294 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-[(2E)-1-methyl-2-butenyl]-2-(2-propynyl)malonate
Molecular Formula:
C
13
H
18
O
4
Molecular Weight:
238.284 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-2,5,5-trimethyl-1,3-cyclohexanedione
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
(2Z,4Z)-2,3,4,5-tetrafluoro-2,4-hexadiene
Molecular Formula:
C
6
H
6
F
4
Molecular Weight:
154.107 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl 1-acetyl-2-(dimethylaminomethyl)cyclopentane-1-carboxylate
Molecular Formula:
C
15
H
27
NO
3
Molecular Weight:
269.384 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-(dimethylaminomethyl)-6-oxocyclohexane-1-carboxylate
Molecular Formula:
C
11
H
19
NO
3
Molecular Weight:
213.277 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-(dimethylaminomethyl)-7-oxocycloheptane-1-carboxylate
Molecular Formula:
C
12
H
21
NO
3
Molecular Weight:
227.304 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-formyl-1,1-cyclohexanedicarboxylate
Molecular Formula:
C
11
H
16
O
5
Molecular Weight:
228.245 g/mol
Cas Number:
-
EINECS Number:
-
2-(9-ethyl-9H-purin-6-yl)cyclopentanone
Molecular Formula:
C
12
H
14
N
4
O
Molecular Weight:
230.27 g/mol
Cas Number:
-
EINECS Number:
-
1-(9-ethyl-9H-purin-6-yl)acetone
Molecular Formula:
C
10
H
12
N
4
O
Molecular Weight:
204.232 g/mol
Cas Number:
-
EINECS Number:
-
[(E)-2-[1-(cyano-pyrrolidin-1-ylmethyl)cyclopropyl]ethenyl] acetate
Molecular Formula:
C
13
H
18
N
2
O
2
Molecular Weight:
234.298 g/mol
Cas Number:
-
EINECS Number:
-
1-benzyl-4-(3-methyl-2-butenyl)-2,3-dihydro-1H-pyrrole
Molecular Formula:
C
16
H
21
N
Molecular Weight:
227.349 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-1,6-heptadien-1-one
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-cyclohexen-1-yl)cyclohexanone
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
1502-22-3
EINECS Number:
216-120-3
2-(3-methyl-but-3-enoxy)-ethenone
Molecular Formula:
C
7
H
10
O
2
Molecular Weight:
126.155 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-3,7-dimethyl-6-octenoic acid
Molecular Formula:
C
10
H
17
ClO
2
Molecular Weight:
204.696 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-methyl-4-methylene-4,5-dihydro-3-furancarboxylate
Molecular Formula:
C
8
H
10
O
3
Molecular Weight:
154.166 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-6,7-dihydro-5H-benzofuran-4-one
Molecular Formula:
C
9
H
10
O
2
Molecular Weight:
150.177 g/mol
Cas Number:
-
EINECS Number:
-
[(E)-2-fluoroethenyl]benzene
Molecular Formula:
C
8
H
7
F
Molecular Weight:
122.142 g/mol
Cas Number:
-
EINECS Number:
-
(1Z)-1-fluoro-1-nonene
Molecular Formula:
C
9
H
17
F
Molecular Weight:
144.232 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dimethyl-2-(2-methyl-1-propenyl)cyclopropane
Molecular Formula:
C
9
H
16
Molecular Weight:
124.226 g/mol
Cas Number:
-
EINECS Number:
-
6,10-dimethoxyoxacyclotetradec-11-ene-2,7-dione
Molecular Formula:
C
15
H
24
O
5
Molecular Weight:
284.353 g/mol
Cas Number:
-
EINECS Number:
-
1,3,5-trineopentylidenecyclohexane
Molecular Formula:
C
21
H
36
Molecular Weight:
288.517 g/mol
Cas Number:
-
EINECS Number:
-
2-methyloctane
Molecular Formula:
C
9
H
20
Molecular Weight:
128.258 g/mol
Cas Number:
3221-61-2
EINECS Number:
-
3-(2-oxotetrahydro-3-furanyl)-2,5-piperazinedione
Molecular Formula:
C
8
H
10
N
2
O
4
Molecular Weight:
198.178 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2-carboxylate
Molecular Formula:
C
14
H
10
N
2
O
4
Molecular Weight:
270.244 g/mol
Cas Number:
-
EINECS Number:
-
anthra-9,10-quinone 9-oxime
Molecular Formula:
C
14
H
9
NO
2
Molecular Weight:
223.231 g/mol
Cas Number:
14090-75-6
EINECS Number:
-
methyl (2E)-5-chloro-4,4-dimethyl-5-oxo-2-pentenoate
Molecular Formula:
C
8
H
11
ClO
3
Molecular Weight:
190.626 g/mol
Cas Number:
-
EINECS Number:
-
cis-4-Benzyloxy-2-buten-1-ol
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
81028-03-7
EINECS Number:
-
2,2-bis(2-chloroethyl)-1,3-dioxolane
Molecular Formula:
C
7
H
12
Cl
2
O
2
Molecular Weight:
199.076 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-hydroxy-2-phenylacetate
Molecular Formula:
C
10
H
12
O
3
Molecular Weight:
180.203 g/mol
Cas Number:
774-40-3
EINECS Number:
212-263-0
1,1-dichloro-2-dodecanol
Molecular Formula:
C
12
H
24
Cl
2
O
Molecular Weight:
255.227 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
Molecular Formula:
C
7
H
8
S
3
Molecular Weight:
188.339 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7-tetrahydro-1,3-benzodithiole
Molecular Formula:
C
7
H
10
S
2
Molecular Weight:
158.288 g/mol
Cas Number:
-
EINECS Number:
-
2-tert-butyl-1,3-dithiolan-2-ol
Molecular Formula:
C
7
H
14
OS
2
Molecular Weight:
178.32 g/mol
Cas Number:
-
EINECS Number:
-
S-(2-sulfanylethyl) 2,2-dimethylpropanethioate
Molecular Formula:
C
7
H
14
OS
2
Molecular Weight:
178.32 g/mol
Cas Number:
-
EINECS Number:
-
2-tert-butyl-2-methoxy-1,3-dithiolane
Molecular Formula:
C
8
H
16
OS
2
Molecular Weight:
192.346 g/mol
Cas Number:
-
EINECS Number:
-
methyl (5E)-5-heptenoate
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
methyl (6E)-6-octenoate
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
(2-oxocyclohexyl)methyl acetate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
7500-52-9
EINECS Number:
-
6-heptenoic acid
Molecular Formula:
C
7
H
12
O
2
Molecular Weight:
128.171 g/mol
Cas Number:
1119-60-4
EINECS Number:
214-283-5
9-tert-butoxy-9H-xanthene
Molecular Formula:
C
17
H
18
O
2
Molecular Weight:
254.329 g/mol
Cas Number:
-
EINECS Number:
-
N-benzylbenzamide
Molecular Formula:
C
14
H
13
NO
Molecular Weight:
211.263 g/mol
Cas Number:
1485-70-7
EINECS Number:
216-063-4
(Z)-2-(acetyloxy)ethenyl acetate
Molecular Formula:
C
6
H
8
O
4
Molecular Weight:
144.127 g/mol
Cas Number:
19191-11-8
EINECS Number:
-
[(Z)-2-phenylsulfanyl-vinyl]sulfanyl-benzene
Molecular Formula:
C
14
H
12
S
2
Molecular Weight:
244.381 g/mol
Cas Number:
23528-44-1
EINECS Number:
-
N,N-diethyl-2,5-dimethyl-1-borolanamine
Molecular Formula:
C
10
H
22
BN
Molecular Weight:
167.102 g/mol
Cas Number:
-
EINECS Number:
-
1,6-diborecane
Molecular Formula:
C
8
H
18
B
2
Molecular Weight:
135.853 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-hydroxy-2-cyclohexen-1-yl)-1-pentanone
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
3-pivaloylcyclohexan-1-one
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-2,5-octanedione
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
4-oxo-3-propyloctanal
Molecular Formula:
C
11
H
20
O
2
Molecular Weight:
184.279 g/mol
Cas Number:
-
EINECS Number:
-
3-pentanoylcyclohexanone
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
3-ethyl-5-methyl-4-oxoheptanal
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
-
EINECS Number:
-
1-bromo-2-vinylcyclopropane
Molecular Formula:
C
5
H
7
Br
Molecular Weight:
147.015 g/mol
Cas Number:
-
EINECS Number:
-
(2-vinyl-cyclopropyl)-methylsulfanyl-benzene
Molecular Formula:
C
12
H
14
S
Molecular Weight:
190.309 g/mol
Cas Number:
-
EINECS Number:
-
(2-vinyl-cyclopropyl)-methylsulfonyl-benzene
Molecular Formula:
C
12
H
14
O
2
S
Molecular Weight:
222.308 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclopent-3-enyl-methylsulfonyl-benzene
Molecular Formula:
C
12
H
14
O
2
S
Molecular Weight:
222.308 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-cyclopent-3-enyl)-ethyl-benzene
Molecular Formula:
C
13
H
16
Molecular Weight:
172.27 g/mol
Cas Number:
-
EINECS Number:
-
spiro[4.4]nonan-2-one
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
-
EINECS Number:
-
3-butyl-2-[(2Z)-2-octenyl]cyclohexanone
Molecular Formula:
C
18
H
32
O
Molecular Weight:
264.451 g/mol
Cas Number:
-
EINECS Number:
-
2-isopropylidene-cyclohexan-1-one
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
13747-73-4
EINECS Number:
-
2-tert-butylcyclohexanone
Molecular Formula:
C
10
H
18
O
Molecular Weight:
154.252 g/mol
Cas Number:
1728-46-7
EINECS Number:
217-043-8
(3E)-3-(methylsulfanyl-methylene)-tetrahydro-furan-2-one
Molecular Formula:
C
6
H
8
O
2
S
Molecular Weight:
144.194 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-2-(1-methylsulfanyl-ethylidene)-cyclopentan-1-one
Molecular Formula:
C
8
H
12
OS
Molecular Weight:
156.249 g/mol
Cas Number:
-
EINECS Number:
-
6-ethyl-N,N-diisopropyl-1-cyclohexene-1-carboxamide
Molecular Formula:
C
15
H
27
NO
Molecular Weight:
237.386 g/mol
Cas Number:
-
EINECS Number:
-
2-formyl-N,N-diisopropyl-1-cyclohexene-1-carboxamide
Molecular Formula:
C
14
H
23
NO
2
Molecular Weight:
237.342 g/mol
Cas Number:
-
EINECS Number:
-
6-hydroxy-N,N-diisopropyl-1-cyclohexene-1-carboxamide
Molecular Formula:
C
13
H
23
NO
2
Molecular Weight:
225.331 g/mol
Cas Number:
-
EINECS Number:
-
6-bromo-N,N-diisopropyl-1-cyclohexene-1-carboxamide
Molecular Formula:
C
13
H
22
BrNO
Molecular Weight:
288.228 g/mol
Cas Number:
-
EINECS Number:
-
6-hexyl-N-methyl-1-cyclohexene-1-carboxamide
Molecular Formula:
C
14
H
25
NO
Molecular Weight:
223.359 g/mol
Cas Number:
-
EINECS Number:
-
2-(methylcarbamoyl)-cyclohex-2-ene-1-carboxylic acid
Molecular Formula:
C
9
H
13
NO
3
Molecular Weight:
183.207 g/mol
Cas Number:
-
EINECS Number:
-
N,N-diisopropylspiro[3.5]non-5-ene-5-carboxamide
Molecular Formula:
C
16
H
27
NO
Molecular Weight:
249.397 g/mol
Cas Number:
-
EINECS Number:
-
5-hexyl-N-methyl-1-cyclopentene-1-carboxamide
Molecular Formula:
C
13
H
23
NO
Molecular Weight:
209.332 g/mol
Cas Number:
-
EINECS Number:
-
6-ethoxy-N,N-diisopropyl-1-cyclohexene-1-carboxamide
Molecular Formula:
C
15
H
27
NO
2
Molecular Weight:
253.385 g/mol
Cas Number:
-
EINECS Number:
-
2-[(diisopropylamino)carbonyl]-2-cyclohexen-1-yl nitrate
Molecular Formula:
C
13
H
22
N
2
O
4
Molecular Weight:
270.329 g/mol
Cas Number:
-
EINECS Number:
-
5-(1-hydroxy-1-methylethyl)-N-methyl-1-cyclopentene-1-carboxamide
Molecular Formula:
C
10
H
17
NO
2
Molecular Weight:
183.251 g/mol
Cas Number:
-
EINECS Number:
-
cyclohexyl-phenylmethanone
Molecular Formula:
C
13
H
16
O
Molecular Weight:
188.269 g/mol
Cas Number:
712-50-5
EINECS Number:
211-923-5
4-(acetyloxymethyl)-3-nitrobenzoic acid
Molecular Formula:
C
10
H
9
NO
6
Molecular Weight:
239.185 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl 4-(acetyloxymethyl)-3-nitrobenzoate
Molecular Formula:
C
14
H
17
NO
6
Molecular Weight:
295.292 g/mol
Cas Number:
-
EINECS Number:
-
4-methylol-3-nitro-benzoic acid tert-butyl ester
Molecular Formula:
C
12
H
15
NO
5
Molecular Weight:
253.255 g/mol
Cas Number:
-
EINECS Number:
-
(4Z)-4-propylidene-1-cyclohexene
Molecular Formula:
C
9
H
14
Molecular Weight:
122.21 g/mol
Cas Number:
-
EINECS Number:
-
2-butyryl-3-[(2E)-2-(dimethylhydrazono)propyl]cyclopentanone
Molecular Formula:
C
14
H
24
N
2
O
2
Molecular Weight:
252.357 g/mol
Cas Number:
-
EINECS Number:
-
2-dimethylamino-3-methyl-1-propyl-5,6-dihydro-4aH-2-pyrindin-7-one
Molecular Formula:
C
14
H
22
N
2
O
Molecular Weight:
234.342 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1-propyl-2-pyrindan-7-one
Molecular Formula:
C
12
H
15
NO
Molecular Weight:
189.257 g/mol
Cas Number:
-
EINECS Number:
-
2,8-dimethyl-5,6,7,8-tetrahydroquinoline
Molecular Formula:
C
11
H
15
N
Molecular Weight:
161.247 g/mol
Cas Number:
-
EINECS Number:
-
4,6-dimethyl-1,2,6,7,8,9-hexahydro-3H-cyclopenta[c]quinolin-3-one
Molecular Formula:
C
14
H
17
NO
Molecular Weight:
215.295 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethyl-6-phenylpyridine
Molecular Formula:
C
13
H
13
N
Molecular Weight:
183.253 g/mol
Cas Number:
-
EINECS Number:
-
3,6-dimethyl-4-octyne
Molecular Formula:
C
10
H
18
Molecular Weight:
138.253 g/mol
Cas Number:
-
EINECS Number:
-
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
Molecular Formula:
C
7
H
12
F
2
Molecular Weight:
134.169 g/mol
Cas Number:
-
EINECS Number:
-
trifluoro-iodomethane
Molecular Formula:
CF
3
I
Molecular Weight:
195.911 g/mol
Cas Number:
2314-97-8
EINECS Number:
219-014-5
4,4,4-trifluoro-1-butene
Molecular Formula:
C
4
H
5
F
3
Molecular Weight:
110.079 g/mol
Cas Number:
7783-40-6
EINECS Number:
-
[(1Z)-2,3,3,3-tetrafluoro-1-(trifluoromethyl)-1-propenyl]benzene
Molecular Formula:
C
10
H
5
F
7
Molecular Weight:
258.139 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1,1,1-trifluoro-3-penten-2-ol
Molecular Formula:
C
5
H
7
F
3
O
Molecular Weight:
140.105 g/mol
Cas Number:
-
EINECS Number:
-
5,5,6,6,7,7,7-heptafluoro-2-methyl-2-heptene
Molecular Formula:
C
8
H
9
F
7
Molecular Weight:
238.148 g/mol
Cas Number:
-
EINECS Number:
-
octahydro-2-benzofuran
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
-
EINECS Number:
-
(5Z)-6-bromo-5-undecen-2-one
Molecular Formula:
C
11
H
19
BrO
Molecular Weight:
247.175 g/mol
Cas Number:
-
EINECS Number:
-
(5Z)-5-undecen-2-one
Molecular Formula:
C
11
H
20
O
Molecular Weight:
168.279 g/mol
Cas Number:
40657-56-5
EINECS Number:
-
(5Z)-6-iodo-5-hepten-2-one
Molecular Formula:
C
7
H
11
IO
Molecular Weight:
238.068 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethyl-4H-1,4-benzoxazine-3-carbonitrile
Molecular Formula:
C
11
H
10
N
2
O
Molecular Weight:
186.213 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-1H-pyrrole-2-carbonitrile
Molecular Formula:
C
6
H
6
N
2
Molecular Weight:
106.127 g/mol
Cas Number:
34884-10-1
EINECS Number:
-
1
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