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Cas Number
EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 18
2-pentylbenzoic acid
Molecular Formula:
C
12
H
16
O
2
Molecular Weight:
192.258 g/mol
Cas Number:
-
EINECS Number:
-
phenyl(2,2,3,3-tetramethyl-1-phenylcyclopropyl)methanone
Molecular Formula:
C
20
H
22
O
Molecular Weight:
278.394 g/mol
Cas Number:
-
EINECS Number:
-
2,2,3,3-tetramethyl-4,5-diphenyl-2,3-dihydrofuran
Molecular Formula:
C
20
H
22
O
Molecular Weight:
278.394 g/mol
Cas Number:
-
EINECS Number:
-
3,3,4-trimethyl-1,2-diphenyl-4-penten-1-one
Molecular Formula:
C
20
H
22
O
Molecular Weight:
278.394 g/mol
Cas Number:
-
EINECS Number:
-
2,4,5-triphenyl-1,3-oxazole
Molecular Formula:
C
21
H
15
NO
Molecular Weight:
297.356 g/mol
Cas Number:
573-34-2
EINECS Number:
-
(2Z)-1-chloro-2-heptene
Molecular Formula:
C
7
H
13
Cl
Molecular Weight:
132.633 g/mol
Cas Number:
68703-33-3
EINECS Number:
-
N-[2-(3-chlorobutyl)phenyl]benzamide
Molecular Formula:
C
17
H
18
ClNO
Molecular Weight:
287.789 g/mol
Cas Number:
-
EINECS Number:
-
N-[2-[(E)-but-2-enyl]-phenyl]-benzamide
Molecular Formula:
C
17
H
17
NO
Molecular Weight:
251.328 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-5,6-dimethyl-1,5,9-decatriene
Molecular Formula:
C
12
H
20
Molecular Weight:
164.291 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-5,6-dimethyl-5,9-decadienal
Molecular Formula:
C
12
H
20
O
Molecular Weight:
180.29 g/mol
Cas Number:
-
EINECS Number:
-
(4Z)-4-chloro-4-hexenyl trifluoroacetate
Molecular Formula:
C
8
H
10
ClF
3
O
2
Molecular Weight:
230.614 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dihydro-2H-pyran-2-carbaldehyde
Molecular Formula:
C
6
H
8
O
2
Molecular Weight:
112.128 g/mol
Cas Number:
100-73-2
EINECS Number:
202-884-5
2-vinyl-3,4-dihydro-2H-pyran
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
-
EINECS Number:
-
3-cyclohexene-1-carbaldehyde
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
100-50-5
EINECS Number:
202-858-3
1-(3-methyl-3-cyclohexen-1-yl)ethanone
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-3-cyclohexene-1-carbaldehyde
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
61426-17-3
EINECS Number:
-
(E)-tert-butyl-(3,4-dihydro-2H-pyran-2-yl-methylene)-amine
Molecular Formula:
C
10
H
17
NO
Molecular Weight:
167.251 g/mol
Cas Number:
-
EINECS Number:
-
N-tert-butyl-1-(2-methyl-3,4-dihydropyran-2-yl)methanimine
Molecular Formula:
C
11
H
19
NO
Molecular Weight:
181.278 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3,4-dihydro-2H-pyran-2-carbaldehyde
Molecular Formula:
C
7
H
10
O
2
Molecular Weight:
126.155 g/mol
Cas Number:
26334-42-9
EINECS Number:
-
3-[5-(trifluoromethoxy)-1H-indol-3-yl]propanoic acid
Molecular Formula:
C
12
H
10
F
3
NO
3
Molecular Weight:
273.212 g/mol
Cas Number:
-
EINECS Number:
-
mesitylene
Molecular Formula:
C
9
H
12
Molecular Weight:
120.194 g/mol
Cas Number:
108-67-8
EINECS Number:
203-604-4
(3Z)-4-cyclohexyl-3-buten-2-one
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
7152-32-1
EINECS Number:
-
3,4-dimethylphenol
Molecular Formula:
C
8
H
10
O
Molecular Weight:
122.167 g/mol
Cas Number:
95-65-8
EINECS Number:
202-439-5
4-ethylbenzonitrile
Molecular Formula:
C
9
H
9
N
Molecular Weight:
131.177 g/mol
Cas Number:
25309-65-3
EINECS Number:
246-811-5
7-tert-butyl-8-oxobicyclo[4.2.0]octane-7-carbonitrile
Molecular Formula:
C
13
H
19
NO
Molecular Weight:
205.3 g/mol
Cas Number:
57681-20-6
EINECS Number:
-
6-dimethylamino-5-oxocyclohepta-1,3,6-triene-1-carbonitrile
Molecular Formula:
C
10
H
10
N
2
O
Molecular Weight:
174.202 g/mol
Cas Number:
-
EINECS Number:
-
1-iodo-2-methyl-1-propene
Molecular Formula:
C
4
H
7
I
Molecular Weight:
182.004 g/mol
Cas Number:
-
EINECS Number:
-
(6E,10Z)-2,10,14-trimethyl-1,6,10,14-pentadecatetraen-3-one
Molecular Formula:
C
18
H
28
O
Molecular Weight:
260.42 g/mol
Cas Number:
-
EINECS Number:
-
(6E,10Z)-2,10,14-trimethyl-1,6,10,14-pentadecatetraen-3-ol
Molecular Formula:
C
18
H
30
O
Molecular Weight:
262.436 g/mol
Cas Number:
-
EINECS Number:
-
5-methoxy-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-quinone
Molecular Formula:
C
12
H
16
O
3
Molecular Weight:
208.257 g/mol
Cas Number:
-
EINECS Number:
-
N-benzhydrylacetamide
Molecular Formula:
C
15
H
15
NO
Molecular Weight:
225.29 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-2-benzylidene-3-thietanone
Molecular Formula:
C
10
H
8
OS
Molecular Weight:
176.239 g/mol
Cas Number:
28786-93-8
EINECS Number:
-
1,3-dimethylthiepino[4,5-c]furan-5,7-dicarboxylic acid
Molecular Formula:
C
12
H
10
O
5
S
Molecular Weight:
266.274 g/mol
Cas Number:
-
EINECS Number:
-
4-Chlorobutanoic acid
Molecular Formula:
C
4
H
7
ClO
2
Molecular Weight:
122.551 g/mol
Cas Number:
627-00-9
EINECS Number:
210-977-7
cyclooctanone
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
502-49-8
EINECS Number:
207-940-2
2-ethoxy-5,6-dimethyl-1H-indene-3-carbonitrile
Molecular Formula:
C
14
H
15
NO
Molecular Weight:
213.279 g/mol
Cas Number:
-
EINECS Number:
-
allylsulfanyl-methylene-cyclohexane
Molecular Formula:
C
10
H
16
S
Molecular Weight:
168.303 g/mol
Cas Number:
-
EINECS Number:
-
spiro[5.5]undec-2-en-1-one
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
Methylenecyclohexane oxide
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
185-70-6
EINECS Number:
-
ethyl 2-ethyl-3-oxopentanoate
Molecular Formula:
C
9
H
16
O
3
Molecular Weight:
172.224 g/mol
Cas Number:
-
EINECS Number:
-
N-decyl-N-methylamine
Molecular Formula:
C
11
H
25
N
Molecular Weight:
171.326 g/mol
Cas Number:
7516-82-7
EINECS Number:
-
2-chlorohexanenitrile
Molecular Formula:
C
6
H
10
ClN
Molecular Weight:
131.605 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-3-methylpentanenitrile
Molecular Formula:
C
8
H
15
N
Molecular Weight:
125.214 g/mol
Cas Number:
29770-73-8
EINECS Number:
-
2,3,4,4-tetramethyl-2-pentene
Molecular Formula:
C
9
H
18
Molecular Weight:
126.242 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-1,1'-biphenyl
Molecular Formula:
C
13
H
12
Molecular Weight:
168.238 g/mol
Cas Number:
644-08-6
EINECS Number:
211-409-0
2,5-dimethyl-1,1'-biphenyl
Molecular Formula:
C
14
H
14
Molecular Weight:
182.265 g/mol
Cas Number:
7372-85-2
EINECS Number:
-
(methylsulfonimidoyl)benzene
Molecular Formula:
C
7
H
9
NOS
Molecular Weight:
155.221 g/mol
Cas Number:
60933-65-5
EINECS Number:
-
4-tert-Butylcyclohexylidene oxide
Molecular Formula:
C
11
H
20
O
Molecular Weight:
168.279 g/mol
Cas Number:
2815-45-4
EINECS Number:
-
1,2-diphenylaziridine
Molecular Formula:
C
14
H
13
N
Molecular Weight:
195.264 g/mol
Cas Number:
2952-05-8
EINECS Number:
-
(Z)-2-chloroethenyl acetate
Molecular Formula:
C
4
H
5
ClO
2
Molecular Weight:
120.535 g/mol
Cas Number:
-
EINECS Number:
-
2-[(Z)-5-methyl-hept-4-enoxy]-tetrahydro-pyran
Molecular Formula:
C
13
H
24
O
2
Molecular Weight:
212.332 g/mol
Cas Number:
-
EINECS Number:
-
2a,2b,6a,6b-tetrahydrocyclopropa[cd]azulene
Molecular Formula:
C
10
H
10
Molecular Weight:
130.189 g/mol
Cas Number:
-
EINECS Number:
-
4-phenyl-1,2-dihydro-2-naphthalenecarboxylic acid
Molecular Formula:
C
17
H
14
O
2
Molecular Weight:
250.297 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-methoxyphenyl)-3,4,4-trimethyl-1,3-oxazolidine
Molecular Formula:
C
13
H
19
NO
2
Molecular Weight:
221.299 g/mol
Cas Number:
30094-06-5
EINECS Number:
-
[(1E,3E)-4-cyclopentyl-1,3-butadienyl]cyclopentane
Molecular Formula:
C
14
H
22
Molecular Weight:
190.329 g/mol
Cas Number:
-
EINECS Number:
-
S-phenyl (2Z)-3-hydroxy-2-phenyl-2-propenethioate
Molecular Formula:
C
15
H
12
O
2
S
Molecular Weight:
256.325 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3-oxopentanoate
Molecular Formula:
C
6
H
10
O
3
Molecular Weight:
130.144 g/mol
Cas Number:
30414-53-0
EINECS Number:
250-184-3
1-ethyl-4-methyl-2-azetidinone
Molecular Formula:
C
6
H
11
NO
Molecular Weight:
113.159 g/mol
Cas Number:
-
EINECS Number:
-
2,6-dimethylaniline
Molecular Formula:
C
8
H
11
N
Molecular Weight:
121.182 g/mol
Cas Number:
87-62-7
EINECS Number:
201-758-7
5-chloro-N-methyl-1-phenylpentan-1-imine
Molecular Formula:
C
12
H
16
ClN
Molecular Weight:
209.718 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-6-phenyl-1,2,3,4-tetrahydropyridine
Molecular Formula:
C
12
H
15
N
Molecular Weight:
173.258 g/mol
Cas Number:
-
EINECS Number:
-
ethyldisulfanyl-methyl-benzene
Molecular Formula:
C
9
H
12
S
2
Molecular Weight:
184.326 g/mol
Cas Number:
-
EINECS Number:
-
7,7-dimethylnorcarane
Molecular Formula:
C
9
H
16
Molecular Weight:
124.226 g/mol
Cas Number:
-
EINECS Number:
-
5-methylsulfanyl-thiophene-2-carboxylic acid ethyl ester
Molecular Formula:
C
8
H
10
O
2
S
2
Molecular Weight:
202.298 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-ethoxypropyl)-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
Molecular Formula:
C
12
H
23
NO
2
Molecular Weight:
213.32 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-ethoxypropyl)-4,4,6-trimethyl-1,3-oxazinane
Molecular Formula:
C
12
H
25
NO
2
Molecular Weight:
215.336 g/mol
Cas Number:
-
EINECS Number:
-
4-ethoxybutanal
Molecular Formula:
C
6
H
12
O
2
Molecular Weight:
116.16 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-aminophenyl)-2-(4,4,6-trimethyl-1,3-oxazinan-2-yl)ethanol
Molecular Formula:
C
15
H
24
N
2
O
2
Molecular Weight:
264.368 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-3-(4-aminophenyl)-2-propenal
Molecular Formula:
C
9
H
9
NO
Molecular Weight:
147.177 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopentanecarboxylate
Molecular Formula:
C
15
H
27
NO
3
Molecular Weight:
269.384 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 1-formylcyclopentanecarboxylate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2H-cyclopenta[d]pyridazine
Molecular Formula:
C
8
H
8
N
2
Molecular Weight:
132.165 g/mol
Cas Number:
-
EINECS Number:
-
1-(benzenesulfinyl-chloromethyl)cyclohexan-1-ol
Molecular Formula:
C
13
H
17
ClO
2
S
Molecular Weight:
272.795 g/mol
Cas Number:
21849-27-4
EINECS Number:
-
2-(phenylsulfinyl)-1-oxaspiro[2.5]octane
Molecular Formula:
C
13
H
16
O
2
S
Molecular Weight:
236.335 g/mol
Cas Number:
21849-30-9
EINECS Number:
-
1-methyl-1H-indeno[6,7,1-def]quinoline
Molecular Formula:
C
15
H
11
N
Molecular Weight:
205.259 g/mol
Cas Number:
-
EINECS Number:
-
octahydro-2H-borinino[1,2-a]borinine
Molecular Formula:
C
9
H
17
B
Molecular Weight:
136.045 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl octanoate
Molecular Formula:
C
12
H
24
O
2
Molecular Weight:
200.321 g/mol
Cas Number:
5457-66-9
EINECS Number:
-
(E)-3-phenyl-1-pyrrolidin-1-ylprop-2-en-1-one
Molecular Formula:
C
13
H
15
NO
Molecular Weight:
201.268 g/mol
Cas Number:
19202-21-2
EINECS Number:
-
methyl 9-chlorobicyclo[6.1.0]nonane-9-carboxylate
Molecular Formula:
C
11
H
17
ClO
2
Molecular Weight:
216.707 g/mol
Cas Number:
-
EINECS Number:
-
10,11-dihydro-5H-dibenzo[b,f]azepine-4-carboxylic acid
Molecular Formula:
C
15
H
13
NO
2
Molecular Weight:
239.274 g/mol
Cas Number:
-
EINECS Number:
-
4-(nitromethyl)pyridine
Molecular Formula:
C
6
H
6
N
2
O
2
Molecular Weight:
138.126 g/mol
Cas Number:
-
EINECS Number:
-
3-methoxy-1,1,2,2-tetramethylcyclopropane
Molecular Formula:
C
8
H
16
O
Molecular Weight:
128.214 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1-phenyl-1-pentanone
Molecular Formula:
C
12
H
16
O
Molecular Weight:
176.258 g/mol
Cas Number:
-
EINECS Number:
-
2-naphthyl acetate
Molecular Formula:
C
12
H
10
O
2
Molecular Weight:
186.21 g/mol
Cas Number:
1523-11-1
EINECS Number:
216-194-7
1-iodohexane
Molecular Formula:
C
6
H
13
I
Molecular Weight:
212.074 g/mol
Cas Number:
638-45-9
EINECS Number:
211-339-0
methyl 8-(2-heptyl-1-cyclopropen-1-yl)octanoate
Molecular Formula:
C
19
H
34
O
2
Molecular Weight:
294.478 g/mol
Cas Number:
-
EINECS Number:
-
2-(5-chloro-3-oxopentyl)-2-methyl-1,3-cyclopentanedione
Molecular Formula:
C
11
H
15
ClO
3
Molecular Weight:
230.691 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dihydrooxepine
Molecular Formula:
C
6
H
8
O
Molecular Weight:
96.129 g/mol
Cas Number:
-
EINECS Number:
-
bis(4-methoxyphenyl)methanone
Molecular Formula:
C
15
H
14
O
3
Molecular Weight:
242.274 g/mol
Cas Number:
90-96-0
EINECS Number:
202-028-0
4-oxo-2-adamantyl methanesulfonate
Molecular Formula:
C
11
H
16
O
4
S
Molecular Weight:
244.312 g/mol
Cas Number:
-
EINECS Number:
-
bicyclo[3.3.1]non-6-ene-3-carboxylic acid
Molecular Formula:
C
10
H
14
O
2
Molecular Weight:
166.22 g/mol
Cas Number:
-
EINECS Number:
-
4-oxaspiro[2.4]hept-6-yl acetate
Molecular Formula:
C
8
H
12
O
3
Molecular Weight:
156.181 g/mol
Cas Number:
-
EINECS Number:
-
1,5-dihydroxy-2,2,4,4,6,6-hexamethylbicyclo[3.1.0]hexan-3-one
Molecular Formula:
C
12
H
20
O
3
Molecular Weight:
212.289 g/mol
Cas Number:
-
EINECS Number:
-
methylsulfonyl-methane
Molecular Formula:
C
2
H
6
O
2
S
Molecular Weight:
94.134 g/mol
Cas Number:
67-71-0
EINECS Number:
200-665-9
2,6-piperidinedione
Molecular Formula:
C
5
H
7
NO
2
Molecular Weight:
113.116 g/mol
Cas Number:
1121-89-7
EINECS Number:
214-340-4
N-benzyl-N-propylamine
Molecular Formula:
C
10
H
15
N
Molecular Weight:
149.236 g/mol
Cas Number:
2032-33-9
EINECS Number:
217-987-0
(2E)-3-methyl-2-hepten-6-yn-1-ol
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
-
EINECS Number:
-
N-tert-butyl-4,4-dimethylpentanamide
Molecular Formula:
C
11
H
23
NO
Molecular Weight:
185.31 g/mol
Cas Number:
-
EINECS Number:
-
5H-benzo[a]cycloheptene-5-carbaldehyde
Molecular Formula:
C
12
H
10
O
Molecular Weight:
170.211 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2-(4-methylphenoxy)propanoic acid
Molecular Formula:
C
11
H
14
O
3
Molecular Weight:
194.23 g/mol
Cas Number:
23438-11-1
EINECS Number:
-
1
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