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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 31
5-amino-1H-pyrazole-4-carbonitrile
Molecular Formula:
C
4
H
4
N
4
Molecular Weight:
108.103 g/mol
Cas Number:
16617-46-2
EINECS Number:
240-665-6
4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ol
Molecular Formula:
C
5
H
5
N
5
O
Molecular Weight:
151.128 g/mol
Cas Number:
5472-41-3
EINECS Number:
226-811-1
1-methoxy-3-methyl-N-phenylbutan-1-imine
Molecular Formula:
C
12
H
17
NO
Molecular Weight:
191.273 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-3-(hydroxymethylene)-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
9
H
7
NO
2
Molecular Weight:
161.16 g/mol
Cas Number:
-
EINECS Number:
-
1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
20200-86-6
EINECS Number:
-
ethylphosphonic diisocyanate
Molecular Formula:
C
4
H
5
N
2
O
3
P
Molecular Weight:
160.069 g/mol
Cas Number:
-
EINECS Number:
-
S-butyl cyclohexylthiocarbamate
Molecular Formula:
C
11
H
21
NOS
Molecular Weight:
215.36 g/mol
Cas Number:
-
EINECS Number:
-
1,2,4,5-tetrahydro-3-benzothiepine
Molecular Formula:
C
10
H
12
S
Molecular Weight:
164.271 g/mol
Cas Number:
-
EINECS Number:
-
4,5-dihydro-3-benzothiepin-1-one
Molecular Formula:
C
10
H
10
OS
Molecular Weight:
178.255 g/mol
Cas Number:
51659-38-2
EINECS Number:
-
3-benzothiepine 3,3-dioxide
Molecular Formula:
C
10
H
8
O
2
S
Molecular Weight:
192.238 g/mol
Cas Number:
-
EINECS Number:
-
1,2,4,5-tetrahydro-3-benzothiepin-1-ol 3,3-dioxide
Molecular Formula:
C
10
H
12
O
3
S
Molecular Weight:
212.269 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylcycloheptanone
Molecular Formula:
C
13
H
16
O
Molecular Weight:
188.269 g/mol
Cas Number:
14996-78-2
EINECS Number:
239-083-5
(1Z)-2-methylcyclohexanone (2,4-dinitrophenyl)hydrazone
Molecular Formula:
C
13
H
16
N
4
O
4
Molecular Weight:
292.295 g/mol
Cas Number:
5138-30-7
EINECS Number:
-
2-heptynoic acid
Molecular Formula:
C
7
H
10
O
2
Molecular Weight:
126.155 g/mol
Cas Number:
1483-67-6
EINECS Number:
-
1-(4-chlorophenyl)-1,2-dihydronaphtho[2,1-b]furan
Molecular Formula:
C
18
H
13
ClO
Molecular Weight:
280.753 g/mol
Cas Number:
-
EINECS Number:
-
5,8-dichloro-1,2-dihydro-4H-3,1-benzoxazin-4-one
Molecular Formula:
C
8
H
5
Cl
2
NO
2
Molecular Weight:
218.039 g/mol
Cas Number:
-
EINECS Number:
-
3,6-dichloro-2-(cyano-methylamino)-benzoic acid
Molecular Formula:
C
9
H
6
Cl
2
N
2
O
2
Molecular Weight:
245.064 g/mol
Cas Number:
-
EINECS Number:
-
2-(carboxymethylamino)-3,6-dichlorobenzoic acid
Molecular Formula:
C
9
H
7
Cl
2
NO
4
Molecular Weight:
264.064 g/mol
Cas Number:
-
EINECS Number:
-
2-(carboxymethylamino)-3,4-dichlorobenzoic acid
Molecular Formula:
C
9
H
7
Cl
2
NO
4
Molecular Weight:
264.064 g/mol
Cas Number:
-
EINECS Number:
-
2-(glycylamino)acetic acid benzyl ester
Molecular Formula:
C
11
H
14
N
2
O
3
Molecular Weight:
222.244 g/mol
Cas Number:
-
EINECS Number:
-
5-nitro-2-phenylpyrimidine
Molecular Formula:
C
10
H
7
N
3
O
2
Molecular Weight:
201.185 g/mol
Cas Number:
-
EINECS Number:
-
(6Z)-6-amino-6-(hydroxyimino)hexanoic acid
Molecular Formula:
C
6
H
12
N
2
O
3
Molecular Weight:
160.173 g/mol
Cas Number:
-
EINECS Number:
-
(1Z,2E)-1,2-cyclohexanedione bis(phenylhydrazone)
Molecular Formula:
C
18
H
20
N
4
Molecular Weight:
292.384 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-cyclopenten-1-yl)pyrrolidine
Molecular Formula:
C
9
H
15
N
Molecular Weight:
137.225 g/mol
Cas Number:
7148-07-4
EINECS Number:
230-463-6
2,3,3a,4,5,7,8,8a-octahydro-1H-azulen-6-one
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2Z)-2-cyano-4-cyclopentyl-3-methyl-2-butenoate
Molecular Formula:
C
13
H
19
NO
2
Molecular Weight:
221.299 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E)-2-(hydroxyimino)propanoate
Molecular Formula:
C
5
H
9
NO
3
Molecular Weight:
131.131 g/mol
Cas Number:
20591-87-1
EINECS Number:
-
N-(4,5-dihydro-1H-imidazol-2-yl)-beta-alanine
Molecular Formula:
C
6
H
11
N
3
O
2
Molecular Weight:
157.172 g/mol
Cas Number:
65658-71-1
EINECS Number:
-
mesitylmethanamine
Molecular Formula:
C
10
H
15
N
Molecular Weight:
149.236 g/mol
Cas Number:
40393-99-5
EINECS Number:
-
Dihydroxyacetone phosphate
Molecular Formula:
C
3
H
7
O
6
P
Molecular Weight:
170.059 g/mol
Cas Number:
57-04-5
EINECS Number:
-
3-octyn-2-one
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
1119-58-0
EINECS Number:
-
1,1-dichloro-2-ethoxy-2-fluoroethane
Molecular Formula:
C
4
H
7
Cl
2
FO
Molecular Weight:
161.003 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-6-phenyl-1,3-oxazinane
Molecular Formula:
C
11
H
15
NO
Molecular Weight:
177.246 g/mol
Cas Number:
19798-94-8
EINECS Number:
-
4-phenyl-1,2,3,6-tetrahydropyridine
Molecular Formula:
C
11
H
13
N
Molecular Weight:
159.231 g/mol
Cas Number:
10338-69-9
EINECS Number:
-
4-phenyl-4-piperidinol
Molecular Formula:
C
11
H
15
NO
Molecular Weight:
177.246 g/mol
Cas Number:
40807-61-2
EINECS Number:
255-089-0
4-Phenylpyridine
Molecular Formula:
C
11
H
9
N
Molecular Weight:
155.199 g/mol
Cas Number:
939-23-1
EINECS Number:
213-357-4
(4,5-dimethoxy-2-vinylphenyl)(phenyl)methanone
Molecular Formula:
C
17
H
16
O
3
Molecular Weight:
268.312 g/mol
Cas Number:
-
EINECS Number:
-
6-chloro-7H-purine
Molecular Formula:
C
5
H
3
ClN
4
Molecular Weight:
154.558 g/mol
Cas Number:
87-42-3
EINECS Number:
201-745-6
2-(1-indan-5-ylethyl)-5-methyl-pyridine
Molecular Formula:
C
17
H
19
N
Molecular Weight:
237.345 g/mol
Cas Number:
-
EINECS Number:
-
benzenesulfonic acid (2,6-dioxo-hexahydro-pyrimidin-1-yl) ester
Molecular Formula:
C
10
H
10
N
2
O
5
S
Molecular Weight:
270.266 g/mol
Cas Number:
73674-56-3
EINECS Number:
-
4-thiepanone
Molecular Formula:
C
6
H
10
OS
Molecular Weight:
130.211 g/mol
Cas Number:
-
EINECS Number:
-
2,6-ditert-butyl-4-ethoxyphenol
Molecular Formula:
C
16
H
26
O
2
Molecular Weight:
250.381 g/mol
Cas Number:
5442-35-3
EINECS Number:
-
4-bromo-2,6-diethoxypyrimidine
Molecular Formula:
C
8
H
11
BrN
2
O
2
Molecular Weight:
247.092 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethoxy-5-pyrimidinecarboxylic acid
Molecular Formula:
C
7
H
8
N
2
O
4
Molecular Weight:
184.152 g/mol
Cas Number:
110821-07-3
EINECS Number:
-
thianthrene 5-oxide
Molecular Formula:
C
12
H
8
OS
2
Molecular Weight:
232.327 g/mol
Cas Number:
2362-50-7
EINECS Number:
-
2,3-quinolinediol
Molecular Formula:
C
9
H
7
NO
2
Molecular Weight:
161.16 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-2,3-quinolinediol
Molecular Formula:
C
10
H
9
NO
2
Molecular Weight:
175.187 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 5-chloro-1H-indole-2,3-dicarboxylate
Molecular Formula:
C
12
H
10
ClNO
4
Molecular Weight:
267.668 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dimethyl-2-quinolinol
Molecular Formula:
C
11
H
11
NO
Molecular Weight:
173.214 g/mol
Cas Number:
17336-90-2
EINECS Number:
-
2-acetyl-2-isopropyl-N-phenylheptanamide
Molecular Formula:
C
18
H
27
NO
2
Molecular Weight:
289.418 g/mol
Cas Number:
-
EINECS Number:
-
10-fluorodecanoic acid
Molecular Formula:
C
10
H
19
FO
2
Molecular Weight:
190.258 g/mol
Cas Number:
334-59-8
EINECS Number:
-
1-bromo-1-chloroethane
Molecular Formula:
C
2
H
4
BrCl
Molecular Weight:
143.41 g/mol
Cas Number:
593-96-4
EINECS Number:
209-820-5
2-furyl acetate
Molecular Formula:
C
6
H
6
O
3
Molecular Weight:
126.112 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylisoindoline
Molecular Formula:
C
14
H
13
N
Molecular Weight:
195.264 g/mol
Cas Number:
19375-67-8
EINECS Number:
-
2-pyrrolidin-1-yl-phenol
Molecular Formula:
C
10
H
13
NO
Molecular Weight:
163.219 g/mol
Cas Number:
4787-77-3
EINECS Number:
-
2-(fluoren-9-ylideneamino)oxy-propionic acid
Molecular Formula:
C
16
H
13
NO
3
Molecular Weight:
267.284 g/mol
Cas Number:
7498-86-4
EINECS Number:
-
bicyclo[2.2.1]hept-5-en-2-one
Molecular Formula:
C
7
H
8
O
Molecular Weight:
108.14 g/mol
Cas Number:
694-98-4
EINECS Number:
-
2-cyanobicyclo[2.2.1]hept-5-en-2-yl acetate
Molecular Formula:
C
10
H
11
NO
2
Molecular Weight:
177.203 g/mol
Cas Number:
-
EINECS Number:
-
pentanedioic acid
Molecular Formula:
C
5
H
8
O
4
Molecular Weight:
132.116 g/mol
Cas Number:
110-94-1
EINECS Number:
203-817-2
dimethyl (6Z)-6-dodecenedioate
Molecular Formula:
C
14
H
24
O
4
Molecular Weight:
256.342 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl (5Z)-5-decenedioate
Molecular Formula:
C
12
H
20
O
4
Molecular Weight:
228.288 g/mol
Cas Number:
-
EINECS Number:
-
5-(1-oxo-2,3-dihydro-1H-inden-2-yl)pentanoic acid
Molecular Formula:
C
14
H
16
O
3
Molecular Weight:
232.279 g/mol
Cas Number:
-
EINECS Number:
-
2-methylsulfonyl-ethyl-benzene
Molecular Formula:
C
9
H
12
O
2
S
Molecular Weight:
184.259 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-4-styrylsulfanyl-benzene
Molecular Formula:
C
15
H
14
S
Molecular Weight:
226.342 g/mol
Cas Number:
24182-83-0
EINECS Number:
-
5-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Molecular Formula:
C
5
H
7
F
3
N
2
Molecular Weight:
152.119 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-1-(trifluoromethyl)cyclopropane
Molecular Formula:
C
5
H
7
F
3
Molecular Weight:
124.106 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-3-hydroxy-6-methylol-pyran-4-one
Molecular Formula:
C
9
H
10
O
4
Molecular Weight:
182.176 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-6-sulfanyl-5-pyrimidinylformamide
Molecular Formula:
C
5
H
6
N
4
OS
Molecular Weight:
170.195 g/mol
Cas Number:
-
EINECS Number:
-
[1,3]thiazolo[5,4-d]pyrimidin-7-amine
Molecular Formula:
C
5
H
4
N
4
S
Molecular Weight:
152.18 g/mol
Cas Number:
2846-90-4
EINECS Number:
-
6-benzylsulfanyl-9H-purine
Molecular Formula:
C
12
H
10
N
4
S
Molecular Weight:
242.304 g/mol
Cas Number:
724-34-5
EINECS Number:
-
1-acetyl-1,2,2a,3-tetrahydrobenzo[cd]indole-5-carbaldehyde
Molecular Formula:
C
14
H
13
NO
2
Molecular Weight:
227.263 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-9,10-didehydro-2,3-dihydroergolin-8-one
Molecular Formula:
C
15
H
16
N
2
O
Molecular Weight:
240.305 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-9,10-didehydro-2,3-dihydroergoline-8-carboxylic acid
Molecular Formula:
C
16
H
18
N
2
O
2
Molecular Weight:
270.331 g/mol
Cas Number:
-
EINECS Number:
-
Lysergic Acid
Molecular Formula:
C
16
H
16
N
2
O
2
Molecular Weight:
268.315 g/mol
Cas Number:
82-58-6
EINECS Number:
-
(5E)-1-benzoyl-2,2a,3,4-tetrahydrobenzo[cd]indol-5(1H)-one oxime
Molecular Formula:
C
18
H
16
N
2
O
2
Molecular Weight:
292.337 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-1-benzoyl-2,2a,3,4-tetrahydrobenzo[cd]indol-5(1H)-one
Molecular Formula:
C
18
H
16
N
2
O
2
Molecular Weight:
292.337 g/mol
Cas Number:
-
EINECS Number:
-
N,N'-dibenzylbenzene-1,3-diamine
Molecular Formula:
C
20
H
20
N
2
Molecular Weight:
288.392 g/mol
Cas Number:
-
EINECS Number:
-
2-benzyl-2,3-dimethyl-1-phenyl-3-buten-1-one
Molecular Formula:
C
19
H
20
O
Molecular Weight:
264.367 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-3-(2-furyl)-2-propenoic acid
Molecular Formula:
C
7
H
6
O
3
Molecular Weight:
138.123 g/mol
Cas Number:
539-47-9
EINECS Number:
208-718-8
diethyl 4-oxoheptanedioate
Molecular Formula:
C
11
H
18
O
5
Molecular Weight:
230.261 g/mol
Cas Number:
6317-49-3
EINECS Number:
228-657-0
pimelic acid
Molecular Formula:
C
7
H
12
O
4
Molecular Weight:
160.17 g/mol
Cas Number:
111-16-0
EINECS Number:
203-840-8
N-[4-hydroxy-3-[(2-hydroxy-ethylamino)-methyl]-phenyl]-acetamide
Molecular Formula:
C
11
H
16
N
2
O
3
Molecular Weight:
224.26 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-2-[(2-hydroxy-ethylamino)-methyl]-phenol
Molecular Formula:
C
9
H
14
N
2
O
2
Molecular Weight:
182.222 g/mol
Cas Number:
-
EINECS Number:
-
octahydro-2H-quinolizin-2-one
Molecular Formula:
C
9
H
15
NO
Molecular Weight:
153.224 g/mol
Cas Number:
23581-42-2
EINECS Number:
-
4-methyloctahydro-2H-quinolizine-4-carbonitrile
Molecular Formula:
C
11
H
18
N
2
Molecular Weight:
178.277 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-ol
Molecular Formula:
C
10
H
19
NO
Molecular Weight:
169.267 g/mol
Cas Number:
-
EINECS Number:
-
2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-1-one
Molecular Formula:
C
11
H
10
O
Molecular Weight:
158.2 g/mol
Cas Number:
-
EINECS Number:
-
5-methoxy-2-p-anisoyl-benzoic acid
Molecular Formula:
C
16
H
14
O
5
Molecular Weight:
286.284 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-4,6-dimethylbenzoic acid
Molecular Formula:
C
10
H
12
O
3
Molecular Weight:
180.203 g/mol
Cas Number:
-
EINECS Number:
-
1,1-diethylpropyl 2,2-diethylhexanoate
Molecular Formula:
C
17
H
34
O
2
Molecular Weight:
270.456 g/mol
Cas Number:
-
EINECS Number:
-
2,2-diethylhexanoic acid
Molecular Formula:
C
10
H
20
O
2
Molecular Weight:
172.268 g/mol
Cas Number:
4528-37-4
EINECS Number:
-
methyl 1,1,3,3-tetramethylbutylcarbamate
Molecular Formula:
C
10
H
21
NO
2
Molecular Weight:
187.282 g/mol
Cas Number:
-
EINECS Number:
-
Trimethyl isocyanurate
Molecular Formula:
C
6
H
9
N
3
O
3
Molecular Weight:
171.156 g/mol
Cas Number:
827-16-7
EINECS Number:
-
1-(1,1,3,3-tetramethylbutyl)-2,4-imidazolidinedione
Molecular Formula:
C
11
H
20
N
2
O
2
Molecular Weight:
212.292 g/mol
Cas Number:
-
EINECS Number:
-
2-isocyanatooctane
Molecular Formula:
C
9
H
17
NO
Molecular Weight:
155.24 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dinitrocyclopentanone
Molecular Formula:
C
5
H
6
N
2
O
5
Molecular Weight:
174.113 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dibromo-2-methylpropanoic acid
Molecular Formula:
C
4
H
6
Br
2
O
2
Molecular Weight:
245.898 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-1,3-cycloheptanedione
Molecular Formula:
C
13
H
14
O
2
Molecular Weight:
202.253 g/mol
Cas Number:
-
EINECS Number:
-
3,5-dioxocyclohexanecarboxylic acid
Molecular Formula:
C
7
H
8
O
4
Molecular Weight:
156.138 g/mol
Cas Number:
42858-60-6
EINECS Number:
-
3,7-diphenyl-5,6-dihydro-4H-1,2-diazepine
Molecular Formula:
C
17
H
16
N
2
Molecular Weight:
248.328 g/mol
Cas Number:
13338-06-2
EINECS Number:
-
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