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emical database
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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 21
3,4-dihydroxy-3-cyclobutene-1,2-dione
Molecular Formula:
C
4
H
2
O
4
Molecular Weight:
114.057 g/mol
Cas Number:
2892-51-5
EINECS Number:
220-761-4
7-phenyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
Molecular Formula:
C
13
H
11
N
Molecular Weight:
181.237 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 1-methyl-2-oxo-1-phenylethylphosphonate
Molecular Formula:
C
13
H
19
O
4
P
Molecular Weight:
270.265 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-methyl-2-phenylethoxy)ethanethiol
Molecular Formula:
C
11
H
16
OS
Molecular Weight:
196.313 g/mol
Cas Number:
-
EINECS Number:
-
2-(isobutylsulfanyl)ethanethiol
Molecular Formula:
C
6
H
14
S
2
Molecular Weight:
150.309 g/mol
Cas Number:
-
EINECS Number:
-
1-phenylethyl acetate
Molecular Formula:
C
10
H
12
O
2
Molecular Weight:
164.204 g/mol
Cas Number:
93-92-5
EINECS Number:
202-288-5
1-tetralin-2-ylazepane
Molecular Formula:
C
16
H
23
N
Molecular Weight:
229.365 g/mol
Cas Number:
-
EINECS Number:
-
2,5-diphenyl-1,3-oxazole
Molecular Formula:
C
15
H
11
NO
Molecular Weight:
221.258 g/mol
Cas Number:
92-71-7
EINECS Number:
202-181-3
1-adamantyl chloridocarbonate
Molecular Formula:
C
11
H
15
ClO
2
Molecular Weight:
214.692 g/mol
Cas Number:
5854-52-4
EINECS Number:
-
isopropenyl acetate
Molecular Formula:
C
5
H
8
O
2
Molecular Weight:
100.117 g/mol
Cas Number:
108-22-5
EINECS Number:
203-562-7
(2E)-2-butenyl acetate
Molecular Formula:
C
6
H
10
O
2
Molecular Weight:
114.144 g/mol
Cas Number:
628-08-0
EINECS Number:
-
N,N-diethyl-2H-azepin-7-amine
Molecular Formula:
C
10
H
16
N
2
Molecular Weight:
164.251 g/mol
Cas Number:
-
EINECS Number:
-
N,N-diethyl-3H-azepin-2-amine
Molecular Formula:
C
10
H
16
N
2
Molecular Weight:
164.251 g/mol
Cas Number:
-
EINECS Number:
-
N,N,N,N,N,N,N,N-octamethylmethanetetramine
Molecular Formula:
C
9
H
24
N
4
Molecular Weight:
188.317 g/mol
Cas Number:
10524-51-3
EINECS Number:
-
N-bromo-N-tert-butylpentanamide
Molecular Formula:
C
9
H
18
BrNO
Molecular Weight:
236.152 g/mol
Cas Number:
-
EINECS Number:
-
N-tert-butyl-5-methyloxolan-2-imine
Molecular Formula:
C
9
H
17
NO
Molecular Weight:
155.24 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-pyrrolidinylcarbonyl)phenylalanine
Molecular Formula:
C
14
H
18
N
2
O
3
Molecular Weight:
262.309 g/mol
Cas Number:
-
EINECS Number:
-
8-oxooctanenitrile
Molecular Formula:
C
8
H
13
NO
Molecular Weight:
139.197 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-3-tert-butoxy-2-butenenitrile
Molecular Formula:
C
8
H
13
NO
Molecular Weight:
139.197 g/mol
Cas Number:
-
EINECS Number:
-
4-tert-butylimino-but-3-en-2-one
Molecular Formula:
C
8
H
13
NO
Molecular Weight:
139.197 g/mol
Cas Number:
-
EINECS Number:
-
N-methyl-3-phenyl-2H-isoindole-1-carboxamide
Molecular Formula:
C
16
H
14
N
2
O
Molecular Weight:
250.3 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-oxo-1,2,3,4-tetrahydro-1-naphthalenecarboxylate
Molecular Formula:
C
12
H
12
O
3
Molecular Weight:
204.225 g/mol
Cas Number:
31202-23-0
EINECS Number:
-
2-tert-butoxy-1,3,2-benzodioxaphosphole 2-oxide
Molecular Formula:
C
10
H
13
O
4
P
Molecular Weight:
228.185 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl 2-hydroxyphenyl hydrogen phosphate
Molecular Formula:
C
10
H
15
O
5
P
Molecular Weight:
246.2 g/mol
Cas Number:
-
EINECS Number:
-
2-isopropyl-1-benzothiophene
Molecular Formula:
C
11
H
12
S
Molecular Weight:
176.282 g/mol
Cas Number:
39743-75-4
EINECS Number:
-
5-amino-2-methyl-1,3-oxazole-4-carbonitrile
Molecular Formula:
C
5
H
5
N
3
O
Molecular Weight:
123.114 g/mol
Cas Number:
5098-16-8
EINECS Number:
-
Adenine
Molecular Formula:
C
5
H
5
N
5
Molecular Weight:
135.128 g/mol
Cas Number:
73-24-5
EINECS Number:
200-796-1
1,1-dimethyl-2-thioxohydrazine
Molecular Formula:
C
2
H
6
N
2
S
Molecular Weight:
90.149 g/mol
Cas Number:
-
EINECS Number:
-
1-indolinamine
Molecular Formula:
C
8
H
10
N
2
Molecular Weight:
134.181 g/mol
Cas Number:
7633-56-9
EINECS Number:
-
(6-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-7-yl)acetonitrile
Molecular Formula:
C
14
H
14
N
2
O
Molecular Weight:
226.278 g/mol
Cas Number:
-
EINECS Number:
-
1-indolin-7-ylacetone
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
-
EINECS Number:
-
amino(4-hydroxy-3-nitrophenyl)acetic acid
Molecular Formula:
C
8
H
8
N
2
O
5
Molecular Weight:
212.162 g/mol
Cas Number:
132203-87-3
EINECS Number:
-
5-(4-methoxyphenoxy)-1-phenyl-1H-tetraazole
Molecular Formula:
C
14
H
12
N
4
O
2
Molecular Weight:
268.275 g/mol
Cas Number:
-
EINECS Number:
-
2,3-diisopropylidene-1,1-dimethyl-cyclopropane
Molecular Formula:
C
11
H
18
Molecular Weight:
150.264 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxyphenyl benzoate
Molecular Formula:
C
14
H
12
O
3
Molecular Weight:
228.247 g/mol
Cas Number:
1523-19-9
EINECS Number:
-
1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl hypofluorite
Molecular Formula:
C
3
F
8
O
Molecular Weight:
204.02 g/mol
Cas Number:
-
EINECS Number:
-
3-(4-nitrophenyl)-3H-diazirene
Molecular Formula:
C
7
H
5
N
3
O
2
Molecular Weight:
163.136 g/mol
Cas Number:
-
EINECS Number:
-
6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one
Molecular Formula:
C
18
H
14
O
Molecular Weight:
246.309 g/mol
Cas Number:
-
EINECS Number:
-
6H-benzo[c]chromen-6-one
Molecular Formula:
C
13
H
8
O
2
Molecular Weight:
196.205 g/mol
Cas Number:
2005-10-9
EINECS Number:
-
2,3-dihydroxy-1,4-diphenyl-1,4-butanedione
Molecular Formula:
C
16
H
14
O
4
Molecular Weight:
270.285 g/mol
Cas Number:
-
EINECS Number:
-
S-methyl 2-oxo-2-phenylethanethioate
Molecular Formula:
C
9
H
8
O
2
S
Molecular Weight:
180.227 g/mol
Cas Number:
-
EINECS Number:
-
Methyl phenacyl sulfoxide
Molecular Formula:
C
9
H
10
O
2
S
Molecular Weight:
182.243 g/mol
Cas Number:
2813-22-1
EINECS Number:
-
2-hydroxy-2-methylsulfanyl-1-phenylethanone
Molecular Formula:
C
9
H
10
O
2
S
Molecular Weight:
182.243 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-1,2-ethanediol
Molecular Formula:
C
8
H
10
O
2
Molecular Weight:
138.166 g/mol
Cas Number:
93-56-1
EINECS Number:
202-258-1
2,3-diphenyl-2,3-butanediol
Molecular Formula:
C
16
H
18
O
2
Molecular Weight:
242.318 g/mol
Cas Number:
1636-34-6
EINECS Number:
-
3,3-dimethyl-2-butanone
Molecular Formula:
C
6
H
12
O
Molecular Weight:
100.161 g/mol
Cas Number:
75-97-8
EINECS Number:
200-920-4
2-bromo-2-methylthiirane 1,1-dioxide
Molecular Formula:
C
3
H
5
BrO
2
S
Molecular Weight:
185.042 g/mol
Cas Number:
-
EINECS Number:
-
6-chloro-6-methoxyhexanenitrile
Molecular Formula:
C
7
H
12
ClNO
Molecular Weight:
161.631 g/mol
Cas Number:
-
EINECS Number:
-
6,6-diethoxyhexanenitrile
Molecular Formula:
C
10
H
19
NO
2
Molecular Weight:
185.266 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-3-ethoxy-1,3-cycloheptadiene
Molecular Formula:
C
9
H
13
ClO
Molecular Weight:
172.654 g/mol
Cas Number:
-
EINECS Number:
-
N,2,2,3,3,4,4,4-octafluoro-butanimidoyl fluoride
Molecular Formula:
C
4
F
9
N
Molecular Weight:
233.036 g/mol
Cas Number:
-
EINECS Number:
-
7,7-difluoronorcarane
Molecular Formula:
C
7
H
10
F
2
Molecular Weight:
132.153 g/mol
Cas Number:
-
EINECS Number:
-
3-amino-2-phenyl-1H-inden-1-one
Molecular Formula:
C
15
H
11
NO
Molecular Weight:
221.258 g/mol
Cas Number:
1947-47-3
EINECS Number:
-
2-(2-chloro-5-methoxybenzyl)succinic acid
Molecular Formula:
C
12
H
13
ClO
5
Molecular Weight:
272.685 g/mol
Cas Number:
-
EINECS Number:
-
2,6-undecanedione
Molecular Formula:
C
11
H
20
O
2
Molecular Weight:
184.279 g/mol
Cas Number:
-
EINECS Number:
-
1-diazo-2,2-dimethylpropane
Molecular Formula:
C
5
H
10
N
2
Molecular Weight:
98.148 g/mol
Cas Number:
-
EINECS Number:
-
N-Boc-aniline
Molecular Formula:
C
11
H
15
NO
2
Molecular Weight:
193.246 g/mol
Cas Number:
3422-01-3
EINECS Number:
-
5-hexenal
Molecular Formula:
C
6
H
10
O
Molecular Weight:
98.145 g/mol
Cas Number:
764-59-0
EINECS Number:
-
bicyclo[9.1.0]dodec-1(11)-en-12-one
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
-
EINECS Number:
-
1-cycloundecyne
Molecular Formula:
C
11
H
18
Molecular Weight:
150.264 g/mol
Cas Number:
702-32-9
EINECS Number:
-
N,N-dimethyl-4-[(E)-2-(methylsulfinyl)ethenyl]aniline
Molecular Formula:
C
11
H
15
NOS
Molecular Weight:
209.312 g/mol
Cas Number:
-
EINECS Number:
-
1-oxaspiro[2.6]nonane
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
185-85-3
EINECS Number:
-
cycloheptanecarbaldehyde
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
4277-29-6
EINECS Number:
-
1-(aminomethyl)cycloheptanol
Molecular Formula:
C
8
H
17
NO
Molecular Weight:
143.229 g/mol
Cas Number:
45732-95-4
EINECS Number:
-
1,4,4-trimethylbicyclo[5.1.0]oct-5-en-2-one
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
2952-04-7
EINECS Number:
-
1-(benzoyloxy)-2(1H)-pyridinone
Molecular Formula:
C
12
H
9
NO
3
Molecular Weight:
215.208 g/mol
Cas Number:
-
EINECS Number:
-
8-(dimethylamino)-1,5,6,7,8,9-hexahydro-2H-azonin-2-one
Molecular Formula:
C
10
H
18
N
2
O
Molecular Weight:
182.266 g/mol
Cas Number:
-
EINECS Number:
-
1,2-dichloro-4-cyclopropylbenzene
Molecular Formula:
C
9
H
8
Cl
2
Molecular Weight:
187.068 g/mol
Cas Number:
-
EINECS Number:
-
1,2-dichloro-4-(1,2-dimethylcyclopropyl)benzene
Molecular Formula:
C
11
H
12
Cl
2
Molecular Weight:
215.122 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3,4-dicyano-5-(ethylsulfanyl)-1H-pyrrol-2-ylimidoformate
Molecular Formula:
C
11
H
12
N
4
OS
Molecular Weight:
248.309 g/mol
Cas Number:
1500-89-6
EINECS Number:
-
N'-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)-methanimidamide
Molecular Formula:
C
9
H
9
N
5
S
Molecular Weight:
219.27 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-6-(ethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Molecular Formula:
C
9
H
9
N
5
S
Molecular Weight:
219.27 g/mol
Cas Number:
-
EINECS Number:
-
1-(3-aminopropyl)-2,6-piperidinedione
Molecular Formula:
C
8
H
14
N
2
O
2
Molecular Weight:
170.211 g/mol
Cas Number:
-
EINECS Number:
-
1-chlorobutane
Molecular Formula:
C
4
H
9
Cl
Molecular Weight:
92.568 g/mol
Cas Number:
109-69-3
EINECS Number:
203-696-6
7-phenyl-1-azabicyclo[4.2.0]octan-8-one
Molecular Formula:
C
13
H
15
NO
Molecular Weight:
201.268 g/mol
Cas Number:
-
EINECS Number:
-
2-diazo-2-phenyl-1-piperidin-1-ylethanone
Molecular Formula:
C
13
H
15
N
3
O
Molecular Weight:
229.282 g/mol
Cas Number:
-
EINECS Number:
-
trimethyl trithiophosphite
Molecular Formula:
C
3
H
9
PS
3
Molecular Weight:
172.276 g/mol
Cas Number:
816-80-8
EINECS Number:
-
N'-(4-methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
Molecular Formula:
C
18
H
24
N
2
Molecular Weight:
268.402 g/mol
Cas Number:
50809-58-0
EINECS Number:
212-344-0
4-[(4-nitrophenyl)ethynyl]benzonitrile
Molecular Formula:
C
15
H
8
N
2
O
2
Molecular Weight:
248.241 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-3-anilino-N,N-diethyl-3-phenyl-2-propenamide
Molecular Formula:
C
19
H
22
N
2
O
Molecular Weight:
294.397 g/mol
Cas Number:
-
EINECS Number:
-
naphtho[1,2-c]furan-1,1,3,3-tetracarbonitrile
Molecular Formula:
C
16
H
6
N
4
O
Molecular Weight:
270.25 g/mol
Cas Number:
-
EINECS Number:
-
1-acetyl-2-phenyl-1,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7(2H)-one
Molecular Formula:
C
14
H
13
NO
3
S
Molecular Weight:
275.328 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-2,3-dihydro-1,4-oxathiine
Molecular Formula:
C
5
H
8
OS
Molecular Weight:
116.184 g/mol
Cas Number:
3643-97-8
EINECS Number:
-
2-(2,3-diphenyl-2-cyclopropen-1-ylidene)malononitrile
Molecular Formula:
C
18
H
10
N
2
Molecular Weight:
254.291 g/mol
Cas Number:
-
EINECS Number:
-
1-(cyanodisulfanylmethyl)-4-nitrobenzene
Molecular Formula:
C
8
H
6
N
2
O
2
S
2
Molecular Weight:
226.28 g/mol
Cas Number:
-
EINECS Number:
-
O-benzhydryl S-methyl thiocarbonate
Molecular Formula:
C
15
H
14
O
2
S
Molecular Weight:
258.341 g/mol
Cas Number:
-
EINECS Number:
-
benzhydryl hydrazinecarboxylate
Molecular Formula:
C
14
H
14
N
2
O
2
Molecular Weight:
242.277 g/mol
Cas Number:
3403-23-4
EINECS Number:
-
benzhydryl azidocarbonate
Molecular Formula:
C
14
H
11
N
3
O
2
Molecular Weight:
253.26 g/mol
Cas Number:
3312-83-2
EINECS Number:
-
2-(benzhydryloxycarbonylamino)-acetic acid
Molecular Formula:
C
16
H
15
NO
4
Molecular Weight:
285.299 g/mol
Cas Number:
-
EINECS Number:
-
bicyclo[4.2.0]octa-1,3,5-trien-7-yl acetate
Molecular Formula:
C
10
H
10
O
2
Molecular Weight:
162.188 g/mol
Cas Number:
3469-03-2
EINECS Number:
-
ethyl (2-acetylphenyl)acetate
Molecular Formula:
C
12
H
14
O
3
Molecular Weight:
206.241 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dichloro-2,2,3,3-tetramethylcyclopropane
Molecular Formula:
C
7
H
12
Cl
2
Molecular Weight:
167.078 g/mol
Cas Number:
3141-45-5
EINECS Number:
-
phenylcarbonimidic difluoride
Molecular Formula:
C
7
H
5
F
2
N
Molecular Weight:
141.12 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-3-methyl-3H-diazirene
Molecular Formula:
C
2
H
3
ClN
2
Molecular Weight:
90.512 g/mol
Cas Number:
4222-21-3
EINECS Number:
-
2,2,3,3-tetramethylsuccinonitrile
Molecular Formula:
C
8
H
12
N
2
Molecular Weight:
136.197 g/mol
Cas Number:
3333-52-6
EINECS Number:
-
2-methyl-2-(2-methyl-prop-1-enylideneamino)-propionitrile
Molecular Formula:
C
8
H
12
N
2
Molecular Weight:
136.197 g/mol
Cas Number:
-
EINECS Number:
-
(E)-1-(1,2-dimethyl-1-propenyl)-2-methyldiazene
Molecular Formula:
C
6
H
12
N
2
Molecular Weight:
112.175 g/mol
Cas Number:
-
EINECS Number:
-
2-hexylbenzo-1,4-quinone
Molecular Formula:
C
12
H
16
O
2
Molecular Weight:
192.258 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylic acid
Molecular Formula:
C
10
H
7
NO
5
Molecular Weight:
221.169 g/mol
Cas Number:
-
EINECS Number:
-
2,5-piperazinedione
Molecular Formula:
C
4
H
6
N
2
O
2
Molecular Weight:
114.104 g/mol
Cas Number:
106-57-0
EINECS Number:
203-411-5
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