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Cas Number
EINECS Number
MDL Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 45
2-oxo-chromene-3-carboxylic acid 2-diethylaminoethyl ester
Molecular Formula:
C
16
H
19
NO
4
Molecular Weight:
289.331 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-2-hydroxynaphthoquinone
Molecular Formula:
C
10
H
5
ClO
3
Molecular Weight:
208.601 g/mol
Cas Number:
-
EINECS Number:
-
1,3-benzodioxol-5-ylmethanol
Molecular Formula:
C
8
H
8
O
3
Molecular Weight:
152.15 g/mol
Cas Number:
495-76-1
EINECS Number:
207-808-4
4,5-diethyl-2-nitroaniline
Molecular Formula:
C
10
H
14
N
2
O
2
Molecular Weight:
194.233 g/mol
Cas Number:
7149-71-5
EINECS Number:
-
2,4-ditert-butylcyclohexanol
Molecular Formula:
C
14
H
28
O
Molecular Weight:
212.376 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-(2-oxo-1(2H)-pyridinyl)ethanal oxime
Molecular Formula:
C
7
H
8
N
2
O
2
Molecular Weight:
152.153 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-(2-oxo-1(2H)-pyridinyl)ethanal semicarbazone
Molecular Formula:
C
8
H
10
N
4
O
2
Molecular Weight:
194.193 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-oxo-3-azetidinyl)-2(1H)-pyridinone
Molecular Formula:
C
8
H
8
N
2
O
2
Molecular Weight:
164.164 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-3-piperidin-1-ylpropanenitrile
Molecular Formula:
C
8
H
14
N
2
O
Molecular Weight:
154.212 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-3-piperidin-1-ylpropanoic acid
Molecular Formula:
C
8
H
15
NO
3
Molecular Weight:
173.212 g/mol
Cas Number:
-
EINECS Number:
-
ethyl phenylimidoformate
Molecular Formula:
C
9
H
11
NO
Molecular Weight:
149.192 g/mol
Cas Number:
6780-49-0
EINECS Number:
229-841-3
S-methyl O-(1-methyl-2-phenylpropyl) dithiocarbonate
Molecular Formula:
C
12
H
16
OS
2
Molecular Weight:
240.39 g/mol
Cas Number:
-
EINECS Number:
-
4-isopropylphenol
Molecular Formula:
C
9
H
12
O
Molecular Weight:
136.194 g/mol
Cas Number:
99-89-8
EINECS Number:
202-798-8
6-cyclohexyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Molecular Formula:
C
16
H
24
O
Molecular Weight:
232.366 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-chloroethyl)-2-methylpyrrolidine
Molecular Formula:
C
7
H
14
ClN
Molecular Weight:
147.648 g/mol
Cas Number:
-
EINECS Number:
-
(2-chloro-2-ethoxyethyl)benzene
Molecular Formula:
C
10
H
13
ClO
Molecular Weight:
184.665 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-bromophenyl)-2-azetidinone
Molecular Formula:
C
9
H
8
BrNO
Molecular Weight:
226.073 g/mol
Cas Number:
-
EINECS Number:
-
N-phenyl-1,2,3-thiadiazol-5-amine
Molecular Formula:
C
8
H
7
N
3
S
Molecular Weight:
177.23 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-oxazol-4-one
Molecular Formula:
C
9
H
7
NO
2
Molecular Weight:
161.16 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dimethyl-4-methylsulfanylaniline
Molecular Formula:
C
9
H
13
NS
Molecular Weight:
167.275 g/mol
Cas Number:
2388-51-4
EINECS Number:
-
diethyl 1-ethyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate
Molecular Formula:
C
12
H
17
NO
6
Molecular Weight:
271.27 g/mol
Cas Number:
-
EINECS Number:
-
2,5-diphenyl-3-furyl methyl ether
Molecular Formula:
C
17
H
14
O
2
Molecular Weight:
250.297 g/mol
Cas Number:
-
EINECS Number:
-
(E)-N,N'-diisopropyl-but-2-enedioic acid amide
Molecular Formula:
C
10
H
18
N
2
O
2
Molecular Weight:
198.265 g/mol
Cas Number:
-
EINECS Number:
-
Hexamethylacetone
Molecular Formula:
C
9
H
18
O
Molecular Weight:
142.241 g/mol
Cas Number:
815-24-7
EINECS Number:
212-419-8
2-bromo-2-phenylacetonitrile
Molecular Formula:
C
8
H
6
BrN
Molecular Weight:
196.046 g/mol
Cas Number:
5798-79-8
EINECS Number:
-
ethyl 4-amino-2-chlorobenzoate
Molecular Formula:
C
9
H
10
ClNO
2
Molecular Weight:
199.637 g/mol
Cas Number:
16017-69-9
EINECS Number:
-
6-methoxy-1,2,3,4-tetrahydro-8-quinolinylamine
Molecular Formula:
C
10
H
14
N
2
O
Molecular Weight:
178.234 g/mol
Cas Number:
-
EINECS Number:
-
N-(4-methylphenyl)-N-(2-nitropentyl)amine
Molecular Formula:
C
12
H
18
N
2
O
2
Molecular Weight:
222.287 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-2-methylpropanenitrile
Molecular Formula:
C
4
H
6
ClN
Molecular Weight:
103.551 g/mol
Cas Number:
3331-60-0
EINECS Number:
-
2-amino-butyl-butyl-amine
Molecular Formula:
C
8
H
20
N
2
Molecular Weight:
144.26 g/mol
Cas Number:
-
EINECS Number:
-
diallyl phenylphosphonate
Molecular Formula:
C
12
H
15
O
3
P
Molecular Weight:
238.223 g/mol
Cas Number:
2948-89-2
EINECS Number:
-
ethyl 2-imino-5,5-dimethyltetrahydro-3-thiophenecarboxylate
Molecular Formula:
C
9
H
15
NO
2
S
Molecular Weight:
201.29 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Molecular Formula:
C
18
H
16
N
2
O
2
Molecular Weight:
292.337 g/mol
Cas Number:
82789-18-2
EINECS Number:
-
1-methyl-9H-beta-carbolin-3-ylamine
Molecular Formula:
C
12
H
11
N
3
Molecular Weight:
197.24 g/mol
Cas Number:
84872-35-5
EINECS Number:
-
3-methyl-1-undecanol
Molecular Formula:
C
12
H
26
O
Molecular Weight:
186.338 g/mol
Cas Number:
-
EINECS Number:
-
2-iododecane
Molecular Formula:
C
10
H
21
I
Molecular Weight:
268.181 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-3,5-dimethylbenzoic acid
Molecular Formula:
C
9
H
11
NO
2
Molecular Weight:
165.192 g/mol
Cas Number:
4919-40-8
EINECS Number:
-
4-(4-methoxyphenyl)-4-oxobutanoic acid
Molecular Formula:
C
11
H
12
O
4
Molecular Weight:
208.214 g/mol
Cas Number:
3153-44-4
EINECS Number:
221-593-4
(4Z)-6,6-diethoxy-4-hexene-2,3-dione
Molecular Formula:
C
10
H
16
O
4
Molecular Weight:
200.235 g/mol
Cas Number:
-
EINECS Number:
-
1-(2,4-dihydroxyphenyl)ethanone
Molecular Formula:
C
8
H
8
O
3
Molecular Weight:
152.15 g/mol
Cas Number:
89-84-9
EINECS Number:
201-945-3
N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)nitramide
Molecular Formula:
C
5
H
10
N
4
O
2
Molecular Weight:
158.16 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-cyano-3-(4-quinolinyl)-2-propenamide
Molecular Formula:
C
13
H
9
N
3
O
Molecular Weight:
223.234 g/mol
Cas Number:
-
EINECS Number:
-
2-butyrylbenzoic acid
Molecular Formula:
C
11
H
12
O
3
Molecular Weight:
192.214 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-[(2E)-2-(hydroxyimino)butanoyl]benzoate
Molecular Formula:
C
12
H
13
NO
4
Molecular Weight:
235.24 g/mol
Cas Number:
-
EINECS Number:
-
3-(1-aminopropyl)-2-benzofuran-1(3H)-one
Molecular Formula:
C
11
H
13
NO
2
Molecular Weight:
191.23 g/mol
Cas Number:
-
EINECS Number:
-
3-mesityl-3-phenyl-1,2-propanediol
Molecular Formula:
C
18
H
22
O
2
Molecular Weight:
270.371 g/mol
Cas Number:
-
EINECS Number:
-
2-mesityl-2-phenyl-acetaldehyde
Molecular Formula:
C
17
H
18
O
Molecular Weight:
238.329 g/mol
Cas Number:
-
EINECS Number:
-
4-fluoroaniline
Molecular Formula:
C
6
H
6
FN
Molecular Weight:
111.119 g/mol
Cas Number:
371-40-4
EINECS Number:
206-735-5
(3,5-dimethoxyphenyl)methanol
Molecular Formula:
C
9
H
12
O
3
Molecular Weight:
168.192 g/mol
Cas Number:
705-76-0
EINECS Number:
211-888-6
N-[5-(dimethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]acetamide
Molecular Formula:
C
9
H
15
N
3
OS
Molecular Weight:
213.304 g/mol
Cas Number:
-
EINECS Number:
-
3-(2-amino-1,3-thiazol-4-yl)propanoic acid
Molecular Formula:
C
6
H
8
N
2
O
2
S
Molecular Weight:
172.208 g/mol
Cas Number:
100114-41-8
EINECS Number:
-
3,4-dihydroxyphenylalanine
Molecular Formula:
C
9
H
11
NO
4
Molecular Weight:
197.191 g/mol
Cas Number:
63-84-3
EINECS Number:
200-566-0
2-chloro-1,1,1-trifluoroethane
Molecular Formula:
C
2
H
2
ClF
3
Molecular Weight:
118.486 g/mol
Cas Number:
75-88-7
EINECS Number:
-
2-chloro-1-iodo-2-methylpropane
Molecular Formula:
C
4
H
8
ClI
Molecular Weight:
218.465 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dimethylcyclohexane
Molecular Formula:
C
8
H
16
Molecular Weight:
112.215 g/mol
Cas Number:
590-66-9
EINECS Number:
209-687-3
4-amino-N-[2-(2-diethylaminoethylsulfanyl)-ethyl]-benzamide
Molecular Formula:
C
15
H
25
N
3
OS
Molecular Weight:
295.449 g/mol
Cas Number:
-
EINECS Number:
-
2-diethylamino-ethanethiol
Molecular Formula:
C
6
H
15
NS
Molecular Weight:
133.258 g/mol
Cas Number:
100-38-9
EINECS Number:
202-846-8
2-(2-aminoethylsulfanyl)-N,N-diethylethanamine
Molecular Formula:
C
8
H
20
N
2
S
Molecular Weight:
176.326 g/mol
Cas Number:
-
EINECS Number:
-
3-thiocarbamoylsulfanyl-propionic acid
Molecular Formula:
C
4
H
7
NO
2
S
2
Molecular Weight:
165.237 g/mol
Cas Number:
4240-92-0
EINECS Number:
-
2-thioxo-1,3-thiazinan-4-one
Molecular Formula:
C
4
H
5
NOS
2
Molecular Weight:
147.222 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 4-bromo-2-methyldecanoate
Molecular Formula:
C
13
H
25
BrO
2
Molecular Weight:
293.244 g/mol
Cas Number:
-
EINECS Number:
-
9,10-dihydro-9-anthracenecarboxylic acid
Molecular Formula:
C
15
H
12
O
2
Molecular Weight:
224.259 g/mol
Cas Number:
1143-20-0
EINECS Number:
-
9-anthracenecarboxylic acid
Molecular Formula:
C
15
H
10
O
2
Molecular Weight:
222.243 g/mol
Cas Number:
723-62-6
EINECS Number:
211-964-9
ethyl 2-acetamido-3-oxobutanoate
Molecular Formula:
C
8
H
13
NO
4
Molecular Weight:
187.196 g/mol
Cas Number:
5431-93-6
EINECS Number:
-
methyl 2-methylacrylate
Molecular Formula:
C
5
H
8
O
2
Molecular Weight:
100.117 g/mol
Cas Number:
80-62-6
EINECS Number:
201-297-1
1,2-dibromo-ethyl-benzene
Molecular Formula:
C
8
H
8
Br
2
Molecular Weight:
263.96 g/mol
Cas Number:
93-52-7
EINECS Number:
202-253-4
3-methoxyestra-1,3,5(10),14-tetraen-16-one
Molecular Formula:
C
19
H
22
O
2
Molecular Weight:
282.382 g/mol
Cas Number:
-
EINECS Number:
-
1-isopropenyl-4-methoxybenzene
Molecular Formula:
C
10
H
12
O
Molecular Weight:
148.205 g/mol
Cas Number:
1712-69-2
EINECS Number:
-
1-chloro-3-vinylbenzene
Molecular Formula:
C
8
H
7
Cl
Molecular Weight:
138.596 g/mol
Cas Number:
2039-85-2
EINECS Number:
218-024-7
1,1,1-trichloro-3-ethyl-2-heptanol
Molecular Formula:
C
9
H
17
Cl
3
O
Molecular Weight:
247.591 g/mol
Cas Number:
-
EINECS Number:
-
1,1,1-trichloro-2-methyl-2-propanol
Molecular Formula:
C
4
H
7
Cl
3
O
Molecular Weight:
177.457 g/mol
Cas Number:
57-15-8
EINECS Number:
200-317-6
N-(3-allyl-4-hydroxyphenyl)acetamide
Molecular Formula:
C
11
H
13
NO
2
Molecular Weight:
191.23 g/mol
Cas Number:
84176-62-5
EINECS Number:
-
6-hydroxy-5-methoxy-1-indanone
Molecular Formula:
C
10
H
10
O
3
Molecular Weight:
178.188 g/mol
Cas Number:
90843-62-2
EINECS Number:
-
2-amino-6-methyl-1-indanone
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-6-methyl-1-indanol
Molecular Formula:
C
10
H
13
NO
Molecular Weight:
163.219 g/mol
Cas Number:
-
EINECS Number:
-
3-methylsulfanyl-propionaldehyde
Molecular Formula:
C
4
H
8
OS
Molecular Weight:
104.173 g/mol
Cas Number:
3268-49-3
EINECS Number:
221-882-5
2-thiazol-2-yldisulfanyl-thiazole
Molecular Formula:
C
6
H
4
N
2
S
4
Molecular Weight:
232.375 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dimethyl-3-oxobutyl thiocyanate
Molecular Formula:
C
7
H
11
NOS
Molecular Weight:
157.236 g/mol
Cas Number:
26094-11-1
EINECS Number:
-
N'-(2-methyl-4-oxopentan-2-yl)-N-phenyl-1-sulfanylmethanimidamide
Molecular Formula:
C
13
H
18
N
2
OS
Molecular Weight:
250.365 g/mol
Cas Number:
-
EINECS Number:
-
4,4,6-trimethyl-1-phenyl-1,4-dihydro-2-pyrimidinyl hydrosulfide
Molecular Formula:
C
13
H
16
N
2
S
Molecular Weight:
232.35 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 1,2,3,4-tetrahydro-1,2-phenanthrenedicarboxylate
Molecular Formula:
C
18
H
18
O
4
Molecular Weight:
298.339 g/mol
Cas Number:
-
EINECS Number:
-
3-(acetyloxy)-5-nitrophenyl acetate
Molecular Formula:
C
10
H
9
NO
6
Molecular Weight:
239.185 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-chloro-1,1,2-trifluoroethoxy)butane
Molecular Formula:
C
6
H
10
ClF
3
O
Molecular Weight:
190.593 g/mol
Cas Number:
-
EINECS Number:
-
3-thiophenecarboxylic acid
Molecular Formula:
C
5
H
4
O
2
S
Molecular Weight:
128.152 g/mol
Cas Number:
88-13-1
EINECS Number:
201-802-5
3,3-bis(4-methylphenyl)acrylic acid
Molecular Formula:
C
17
H
16
O
2
Molecular Weight:
252.313 g/mol
Cas Number:
-
EINECS Number:
-
3,5-diethyl-1-phenyl-2-propyl-1,4-dihydropyridine
Molecular Formula:
C
18
H
25
N
Molecular Weight:
255.403 g/mol
Cas Number:
-
EINECS Number:
-
2-(5-tert-butyl-2-thienyl)ethanol
Molecular Formula:
C
10
H
16
OS
Molecular Weight:
184.302 g/mol
Cas Number:
-
EINECS Number:
-
5-acetonyl-5-ethyl-barbituric acid
Molecular Formula:
C
9
H
12
N
2
O
4
Molecular Weight:
212.205 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-chloro-2-nitrophenyl)sulfanylacetic acid
Molecular Formula:
C
8
H
6
ClNO
4
S
Molecular Weight:
247.659 g/mol
Cas Number:
6375-61-7
EINECS Number:
-
3-methyl-2-methylol-butyraldehyde
Molecular Formula:
C
6
H
12
O
2
Molecular Weight:
116.16 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-nitrobenzyl)-4(3H)-quinazolinone
Molecular Formula:
C
15
H
11
N
3
O
3
Molecular Weight:
281.271 g/mol
Cas Number:
-
EINECS Number:
-
2,6-dimethoxy-4-[(1E)-1-propenyl]phenol
Molecular Formula:
C
11
H
14
O
3
Molecular Weight:
194.23 g/mol
Cas Number:
6635-22-9
EINECS Number:
-
4-allyl-2,6-dimethoxyphenol
Molecular Formula:
C
11
H
14
O
3
Molecular Weight:
194.23 g/mol
Cas Number:
6627-88-9
EINECS Number:
229-600-2
(5-oxo-dibenzothiophen-3-yl)-amine
Molecular Formula:
C
12
H
9
NOS
Molecular Weight:
215.276 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-bromobutan-2-yl)-4-methylbenzene
Molecular Formula:
C
11
H
15
Br
Molecular Weight:
227.144 g/mol
Cas Number:
-
EINECS Number:
-
tetrahydro-4H-thiopyran-4-one 1,1-dioxide
Molecular Formula:
C
5
H
8
O
3
S
Molecular Weight:
148.183 g/mol
Cas Number:
17396-35-9
EINECS Number:
-
4H-thiopyran-4-one 1,1-dioxide
Molecular Formula:
C
5
H
4
O
3
S
Molecular Weight:
144.151 g/mol
Cas Number:
-
EINECS Number:
-
6-(1,3-benzodioxol-5-yl)[1,3]dioxolo[4,5-g]quinazoline
Molecular Formula:
C
16
H
10
N
2
O
4
Molecular Weight:
294.266 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dibutyl-4-dimethylaminobenzenecarboximidamide
Molecular Formula:
C
17
H
29
N
3
Molecular Weight:
275.437 g/mol
Cas Number:
-
EINECS Number:
-
(2-methoxyphenyl)acetic acid
Molecular Formula:
C
9
H
10
O
3
Molecular Weight:
166.177 g/mol
Cas Number:
93-25-4
EINECS Number:
202-231-4
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