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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 25
(4-methylphenyl)(phenyl)methanone
Molecular Formula:
C
14
H
12
O
Molecular Weight:
196.249 g/mol
Cas Number:
134-84-9
EINECS Number:
205-159-1
ethyl 5-(chloromethyl)-2-methyl-3-furoate
Molecular Formula:
C
9
H
11
ClO
3
Molecular Weight:
202.637 g/mol
Cas Number:
-
EINECS Number:
-
2-(chloromethyl)-3-methylthiophene
Molecular Formula:
C
6
H
7
ClS
Molecular Weight:
146.64 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dimethylene-2,5-dihydrofuran
Molecular Formula:
C
6
H
6
O
Molecular Weight:
94.113 g/mol
Cas Number:
-
EINECS Number:
-
(2-hydroxy-1-naphthyl)acetic acid
Molecular Formula:
C
12
H
10
O
3
Molecular Weight:
202.21 g/mol
Cas Number:
10441-45-9
EINECS Number:
-
2-naphthalen-2-ylsulfanylacetic acid
Molecular Formula:
C
12
H
10
O
2
S
Molecular Weight:
218.276 g/mol
Cas Number:
93-21-0
EINECS Number:
-
7-methyl-2-phenylimidazo[1,2-a]pyrimidin-5-yl hydrosulfide
Molecular Formula:
C
13
H
11
N
3
S
Molecular Weight:
241.317 g/mol
Cas Number:
-
EINECS Number:
-
bis(trifluoromethyl)phosphinous acid
Molecular Formula:
C
2
HF
6
OP
Molecular Weight:
185.994 g/mol
Cas Number:
359-65-9
EINECS Number:
-
2,5-dihydro-1,2,4-benzothiadiazepine 1,1-dioxide
Molecular Formula:
C
8
H
8
N
2
O
2
S
Molecular Weight:
196.23 g/mol
Cas Number:
-
EINECS Number:
-
1,2-dimethyl-2-pyrrolidinecarbonitrile
Molecular Formula:
C
7
H
12
N
2
Molecular Weight:
124.186 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dimethyl-1,2-diphenylethanamine
Molecular Formula:
C
16
H
19
N
Molecular Weight:
225.334 g/mol
Cas Number:
6319-84-2
EINECS Number:
-
(1Z)-N,N-dimethyl-1,2-diphenyl-1-propen-1-amine
Molecular Formula:
C
17
H
19
N
Molecular Weight:
237.345 g/mol
Cas Number:
-
EINECS Number:
-
2-(chloromethyl)-prop-2-enyl-benzene
Molecular Formula:
C
10
H
11
Cl
Molecular Weight:
166.65 g/mol
Cas Number:
-
EINECS Number:
-
cyclopropyl-methyl-benzene
Molecular Formula:
C
10
H
12
Molecular Weight:
132.205 g/mol
Cas Number:
1667-00-1
EINECS Number:
216-782-3
2-propylacrylic acid
Molecular Formula:
C
6
H
10
O
2
Molecular Weight:
114.144 g/mol
Cas Number:
5650-75-9
EINECS Number:
-
isophthalic acid
Molecular Formula:
C
8
H
6
O
4
Molecular Weight:
166.133 g/mol
Cas Number:
121-91-5
EINECS Number:
204-506-4
[(E)-2-methyl-but-2-enoxy]-methyl-phenyl-amine
Molecular Formula:
C
12
H
17
NO
Molecular Weight:
191.273 g/mol
Cas Number:
-
EINECS Number:
-
(1-hydroxycyclohexyl)(phenyl)acetic acid
Molecular Formula:
C
14
H
18
O
3
Molecular Weight:
234.295 g/mol
Cas Number:
5449-68-3
EINECS Number:
-
N,N-dimethyl-1-phenyl-1-pentanamine
Molecular Formula:
C
13
H
21
N
Molecular Weight:
191.316 g/mol
Cas Number:
-
EINECS Number:
-
3-ethyl-1-pentene
Molecular Formula:
C
7
H
14
Molecular Weight:
98.188 g/mol
Cas Number:
4038-04-4
EINECS Number:
223-723-5
1,3-dichloro-2-(2-chloroethoxy)-1,1,3,3-tetrafluoro-2-propanol
Molecular Formula:
C
5
H
5
Cl
3
F
4
O
2
Molecular Weight:
279.445 g/mol
Cas Number:
-
EINECS Number:
-
2,2-bis(chloro-difluoromethyl)-1,3-dioxolane
Molecular Formula:
C
5
H
4
Cl
2
F
4
O
2
Molecular Weight:
242.985 g/mol
Cas Number:
-
EINECS Number:
-
2,2-bis(chloro-difluoromethyl)-4-methyl-1,3-oxazolidin-5-one
Molecular Formula:
C
6
H
5
Cl
2
F
4
NO
2
Molecular Weight:
270.01 g/mol
Cas Number:
-
EINECS Number:
-
2,2-bis(chloro-difluoromethyl)oxirane
Molecular Formula:
C
4
H
2
Cl
2
F
4
O
Molecular Weight:
212.958 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dichloro-2-ethoxy-1,1,3,3-tetrafluoro-2-methoxypropane
Molecular Formula:
C
6
H
8
Cl
2
F
4
O
2
Molecular Weight:
259.027 g/mol
Cas Number:
-
EINECS Number:
-
2,3,4,6-tetramethylbenzaldehyde
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
benzyl formate
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
104-57-4
EINECS Number:
203-214-4
S-butyl thioformate
Molecular Formula:
C
5
H
10
OS
Molecular Weight:
118.2 g/mol
Cas Number:
-
EINECS Number:
-
S-propyl thioformate
Molecular Formula:
C
4
H
8
OS
Molecular Weight:
104.173 g/mol
Cas Number:
-
EINECS Number:
-
2-(1H-indol-3-yl)ethanamine
Molecular Formula:
C
10
H
12
N
2
Molecular Weight:
160.219 g/mol
Cas Number:
61-54-1
EINECS Number:
200-510-5
2-tert-butyl-3,3-dimethylbutanamide
Molecular Formula:
C
10
H
21
NO
Molecular Weight:
171.283 g/mol
Cas Number:
7499-68-5
EINECS Number:
-
10-methoxy-7H-benzo[de]anthracen-7-one
Molecular Formula:
C
18
H
12
O
2
Molecular Weight:
260.292 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-8-methyl-9H-purine-6-thiol
Molecular Formula:
C
6
H
7
N
5
S
Molecular Weight:
181.221 g/mol
Cas Number:
-
EINECS Number:
-
2,3-diphenyl-2-cyclopropen-1-yl perchlorate
Molecular Formula:
C
15
H
11
ClO
4
Molecular Weight:
290.703 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxybenzenecarbothioamide
Molecular Formula:
C
8
H
9
NOS
Molecular Weight:
167.232 g/mol
Cas Number:
2362-64-3
EINECS Number:
-
4-nitrobenzenecarbothioamide
Molecular Formula:
C
7
H
6
N
2
O
2
S
Molecular Weight:
182.203 g/mol
Cas Number:
26060-30-0
EINECS Number:
-
2,5-diphenyl[1,3]thiazolo[5,4-d][1,3]thiazole
Molecular Formula:
C
16
H
10
N
2
S
2
Molecular Weight:
294.401 g/mol
Cas Number:
6641-96-9
EINECS Number:
-
tert-butyl 2-amino-2-oxoacetate
Molecular Formula:
C
6
H
11
NO
3
Molecular Weight:
145.158 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl cyanoformate
Molecular Formula:
C
6
H
9
NO
2
Molecular Weight:
127.143 g/mol
Cas Number:
-
EINECS Number:
-
di(tert-butyl) 1,2-hydrazinedicarboxylate
Molecular Formula:
C
10
H
20
N
2
O
4
Molecular Weight:
232.28 g/mol
Cas Number:
16466-61-8
EINECS Number:
240-512-3
7-chloro-2-ethyl-4-oxo-3,4-dihydro-6-quinazolinesulfonamide
Molecular Formula:
C
10
H
10
ClN
3
O
3
S
Molecular Weight:
287.727 g/mol
Cas Number:
-
EINECS Number:
-
1,1,3,3,4,4,5,5,5-nonafluoro-1-pentene
Molecular Formula:
C
5
HF
9
Molecular Weight:
232.049 g/mol
Cas Number:
-
EINECS Number:
-
1,1,1,2,2,3,3,5,5,5-decafluoropentane
Molecular Formula:
C
5
H
2
F
10
Molecular Weight:
252.055 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-hydroxyimino-1-cyclohexa-2,5-dienylidene)-2-phenylacetonitrile
Molecular Formula:
C
14
H
10
N
2
O
Molecular Weight:
222.246 g/mol
Cas Number:
888-39-1
EINECS Number:
-
2-chloro-2-methylpropanoic acid
Molecular Formula:
C
4
H
7
ClO
2
Molecular Weight:
122.551 g/mol
Cas Number:
594-58-1
EINECS Number:
-
2-chloro-2-methylpropanoyl chloride
Molecular Formula:
C
4
H
6
Cl
2
O
Molecular Weight:
140.996 g/mol
Cas Number:
13222-26-9
EINECS Number:
-
pyrimido[4,5-d]pyrimidin-4-ylamine
Molecular Formula:
C
6
H
5
N
5
Molecular Weight:
147.139 g/mol
Cas Number:
26979-05-5
EINECS Number:
-
N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Formula:
C
7
H
9
N
5
Molecular Weight:
163.182 g/mol
Cas Number:
5334-49-6
EINECS Number:
-
2-amino-5-nitrobenzonitrile
Molecular Formula:
C
7
H
5
N
3
O
2
Molecular Weight:
163.136 g/mol
Cas Number:
17420-30-3
EINECS Number:
241-446-8
4-methyl-2-pentanol
Molecular Formula:
C
6
H
14
O
Molecular Weight:
102.177 g/mol
Cas Number:
108-11-2
EINECS Number:
203-551-7
(1-tert-butyl-3,3-dimethylbutyl)borane
Molecular Formula:
C
10
H
23
B
Molecular Weight:
154.104 g/mol
Cas Number:
-
EINECS Number:
-
2-tert-butyl-4,4-dimethylborolane
Molecular Formula:
C
10
H
21
B
Molecular Weight:
152.088 g/mol
Cas Number:
-
EINECS Number:
-
3,5-dichloro-4-nitrobenzonitrile
Molecular Formula:
C
7
H
2
Cl
2
N
2
O
2
Molecular Weight:
217.011 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dimethyl-2-nitroethyl acetate
Molecular Formula:
C
6
H
11
NO
4
Molecular Weight:
161.158 g/mol
Cas Number:
20867-84-9
EINECS Number:
-
Anthracene
Molecular Formula:
C
14
H
10
Molecular Weight:
178.233 g/mol
Cas Number:
120-12-7
EINECS Number:
204-371-1
4-(benzylamino)-2-pyrimidinol
Molecular Formula:
C
11
H
11
N
3
O
Molecular Weight:
201.228 g/mol
Cas Number:
-
EINECS Number:
-
1-amino-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
8
H
8
N
2
O
Molecular Weight:
148.164 g/mol
Cas Number:
-
EINECS Number:
-
1,2-diethyl-5-phenyl-2,3-dihydro-1H-pyrazole
Molecular Formula:
C
13
H
18
N
2
Molecular Weight:
202.299 g/mol
Cas Number:
-
EINECS Number:
-
8-hydroxy-4-methyl-3,5,6,7-tetrahydro-2H-naphthalen-1-one
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
-
EINECS Number:
-
4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline
Molecular Formula:
C
15
H
10
N
4
Molecular Weight:
246.271 g/mol
Cas Number:
-
EINECS Number:
-
alpha-Methoxyphenylacetic acid
Molecular Formula:
C
9
H
10
O
3
Molecular Weight:
166.177 g/mol
Cas Number:
7021-09-2
EINECS Number:
230-300-9
2-oxabicyclo[4.1.0]heptane
Molecular Formula:
C
6
H
10
O
Molecular Weight:
98.145 g/mol
Cas Number:
286-16-8
EINECS Number:
-
N,N-dimethyl-2,3,4,7-tetrahydro-4-oxepinamine
Molecular Formula:
C
8
H
15
NO
Molecular Weight:
141.213 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dihydrooxepine
Molecular Formula:
C
6
H
8
O
Molecular Weight:
96.129 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-chloroethenylidene)-1,1,3,3-tetramethylcyclohexane
Molecular Formula:
C
12
H
19
Cl
Molecular Weight:
198.736 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-oxaspiro[2.5]octane-2-carbonitrile
Molecular Formula:
C
9
H
13
NO
Molecular Weight:
151.208 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-2-hydroxy-2,3,4-trimethylpentanenitrile
Molecular Formula:
C
8
H
14
ClNO
Molecular Weight:
175.658 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-3,4-dimethyl-2-pentanone
Molecular Formula:
C
7
H
13
ClO
Molecular Weight:
148.632 g/mol
Cas Number:
-
EINECS Number:
-
4,4,6-trimethylbicyclo[3.2.0]hept-6-en-2-one
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
-
EINECS Number:
-
2,6,6-trimethyl-2,4-cycloheptadien-1-one
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
503-93-5
EINECS Number:
-
3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carbaldehyde
Molecular Formula:
C
7
H
5
NO
2
S
Molecular Weight:
167.188 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
Molecular Formula:
C
8
H
6
N
2
O
3
Molecular Weight:
178.147 g/mol
Cas Number:
26413-69-4
EINECS Number:
-
2-hydroxy-6-phenyl-3,4-pyridinedicarbonitrile
Molecular Formula:
C
13
H
7
N
3
O
Molecular Weight:
221.218 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-1-phenyl-1,2,5,6-tetrahydro-3-phosphininecarbonitrile
Molecular Formula:
C
12
H
13
N
2
P
Molecular Weight:
216.222 g/mol
Cas Number:
23848-09-1
EINECS Number:
-
(E)-1,2-bis(1,1,2,2,2-pentafluoroethyl)diazene
Molecular Formula:
C
4
F
10
N
2
Molecular Weight:
266.042 g/mol
Cas Number:
-
EINECS Number:
-
ethyl hydrogen benzylphosphonate
Molecular Formula:
C
9
H
13
O
3
P
Molecular Weight:
200.174 g/mol
Cas Number:
18933-98-7
EINECS Number:
-
N-hex-5-enyl-N-methylhydroxylamine
Molecular Formula:
C
7
H
15
NO
Molecular Weight:
129.202 g/mol
Cas Number:
-
EINECS Number:
-
N-hex-5-en-2-yl-N-methylhydroxylamine
Molecular Formula:
C
7
H
15
NO
Molecular Weight:
129.202 g/mol
Cas Number:
-
EINECS Number:
-
hept-6-enyl-methyl-amine
Molecular Formula:
C
8
H
17
N
Molecular Weight:
127.23 g/mol
Cas Number:
-
EINECS Number:
-
1-(3-hydroxybutyl)-1-methyl-2(1H)-naphthalenone
Molecular Formula:
C
15
H
18
O
2
Molecular Weight:
230.307 g/mol
Cas Number:
-
EINECS Number:
-
1-(3-hydroxybutyl)-1-methyl-1,2,3,4-tetrahydro-2-naphthalenol
Molecular Formula:
C
15
H
22
O
2
Molecular Weight:
234.338 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-1-(3-oxobutyl)-3,4-dihydro-2(1H)-naphthalenone
Molecular Formula:
C
15
H
18
O
2
Molecular Weight:
230.307 g/mol
Cas Number:
-
EINECS Number:
-
4a-methyl-3,4,9,10-tetrahydro-phenanthren-2-one
Molecular Formula:
C
15
H
16
O
Molecular Weight:
212.291 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-naphthol
Molecular Formula:
C
11
H
10
O
Molecular Weight:
158.2 g/mol
Cas Number:
1076-26-2
EINECS Number:
-
diphenylphosphine sulfide
Molecular Formula:
C
12
H
10
PS
Molecular Weight:
217.251 g/mol
Cas Number:
-
EINECS Number:
-
1,3-diphenyl-2-aziridinone
Molecular Formula:
C
14
H
11
NO
Molecular Weight:
209.247 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-3-thioxo-1-isoindolinone
Molecular Formula:
C
9
H
7
NOS
Molecular Weight:
177.227 g/mol
Cas Number:
6629-81-8
EINECS Number:
-
3-methylphthalic acid
Molecular Formula:
C
9
H
8
O
4
Molecular Weight:
180.16 g/mol
Cas Number:
37102-74-2
EINECS Number:
-
1-(2-methyl-5-methylol-3-furyl)ethanone
Molecular Formula:
C
8
H
10
O
3
Molecular Weight:
154.166 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dihydroxypropyl acetate
Molecular Formula:
C
5
H
10
O
4
Molecular Weight:
134.132 g/mol
Cas Number:
26446-35-5
EINECS Number:
-
1-(2,5-dimethyl-3-furyl)ethanone
Molecular Formula:
C
8
H
10
O
2
Molecular Weight:
138.166 g/mol
Cas Number:
10599-70-9
EINECS Number:
234-216-3
1-(1,1-dimethyl-2-propynyl)piperidine
Molecular Formula:
C
10
H
17
N
Molecular Weight:
151.252 g/mol
Cas Number:
6340-49-4
EINECS Number:
-
(5E)-5-tridecenal
Molecular Formula:
C
13
H
24
O
Molecular Weight:
196.333 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-3-phenylpropyl hydrogen sulfate
Molecular Formula:
C
9
H
13
NO
4
S
Molecular Weight:
231.273 g/mol
Cas Number:
-
EINECS Number:
-
2-benzylaziridine
Molecular Formula:
C
9
H
11
N
Molecular Weight:
133.193 g/mol
Cas Number:
13906-90-6
EINECS Number:
-
9-(2-methylpropylidene)-9H-fluorene
Molecular Formula:
C
17
H
16
Molecular Weight:
220.314 g/mol
Cas Number:
-
EINECS Number:
-
estra-1,3,5(10),6,8,14-hexaene-17-carboxylic acid
Molecular Formula:
C
19
H
18
O
2
Molecular Weight:
278.351 g/mol
Cas Number:
-
EINECS Number:
-
2-(diethylamino)-2-(difluoromethyl)malononitrile
Molecular Formula:
C
8
H
11
F
2
N
3
Molecular Weight:
187.192 g/mol
Cas Number:
-
EINECS Number:
-
5,8a-dimethylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine
Molecular Formula:
C
9
H
17
NO
Molecular Weight:
155.24 g/mol
Cas Number:
-
EINECS Number:
-
N',N'-dimethyl-N-(4-nitrobenzyl)acetohydrazide
Molecular Formula:
C
11
H
15
N
3
O
3
Molecular Weight:
237.259 g/mol
Cas Number:
-
EINECS Number:
-
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