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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 23
4-[4-(hydroxy-phenylmethyl)phenyl]butan-2-one
Molecular Formula:
C
17
H
18
O
2
Molecular Weight:
254.329 g/mol
Cas Number:
-
EINECS Number:
-
2-nitro-3-phenylnaphthalene
Molecular Formula:
C
16
H
11
NO
2
Molecular Weight:
249.269 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-isothiochromene
Molecular Formula:
C
15
H
12
S
Molecular Weight:
224.326 g/mol
Cas Number:
-
EINECS Number:
-
9-phenyl-9H-thioxanthene
Molecular Formula:
C
19
H
14
S
Molecular Weight:
274.386 g/mol
Cas Number:
-
EINECS Number:
-
9-methyl-9H-thioxanthene
Molecular Formula:
C
14
H
12
S
Molecular Weight:
212.315 g/mol
Cas Number:
-
EINECS Number:
-
bis[(2E)-2-methyl-2-butenyl]borane
Molecular Formula:
C
10
H
19
B
Molecular Weight:
150.072 g/mol
Cas Number:
-
EINECS Number:
-
3-hydroxy-2,4-diphenyl-2-cyclobuten-1-one
Molecular Formula:
C
16
H
12
O
2
Molecular Weight:
236.27 g/mol
Cas Number:
-
EINECS Number:
-
phenyl 4-nitrobenzoate
Molecular Formula:
C
13
H
9
NO
4
Molecular Weight:
243.219 g/mol
Cas Number:
1429-05-6
EINECS Number:
-
(1-methyl-2-phenylpropyl)benzene
Molecular Formula:
C
16
H
18
Molecular Weight:
210.319 g/mol
Cas Number:
4613-11-0
EINECS Number:
-
3-(2-benzoylcyclopropyl)propanoic acid
Molecular Formula:
C
13
H
14
O
3
Molecular Weight:
218.252 g/mol
Cas Number:
91910-01-9
EINECS Number:
-
4,7-dioxo-7-phenylheptanoic acid
Molecular Formula:
C
13
H
14
O
4
Molecular Weight:
234.252 g/mol
Cas Number:
6336-53-4
EINECS Number:
-
1-(1,8-dihydroxy-3,6-dimethyl-2-naphthyl)ethanone
Molecular Formula:
C
14
H
14
O
3
Molecular Weight:
230.263 g/mol
Cas Number:
838-03-9
EINECS Number:
-
5,5-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine
Molecular Formula:
C
12
H
16
O
Molecular Weight:
176.258 g/mol
Cas Number:
60326-61-6
EINECS Number:
-
ethyl (2Z)-2-[1-(1-hydroxycyclohexyl)ethylidene]hydrazinecarboxylate
Molecular Formula:
C
11
H
20
N
2
O
3
Molecular Weight:
228.291 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-1-oxa-3,4-diazaspiro[5.5]undec-4-en-2-one
Molecular Formula:
C
9
H
14
N
2
O
2
Molecular Weight:
182.222 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-1-(4-methylphenyl)-2-phenylethanone
Molecular Formula:
C
15
H
13
ClO
Molecular Weight:
244.72 g/mol
Cas Number:
73908-26-6
EINECS Number:
-
2-hydroxy-1-(4-methylphenyl)-2-phenylethanone
Molecular Formula:
C
15
H
14
O
2
Molecular Weight:
226.275 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7-tetrahydro-1H-indazole
Molecular Formula:
C
7
H
10
N
2
Molecular Weight:
122.17 g/mol
Cas Number:
2305-79-5
EINECS Number:
218-977-9
1,5-naphthalenedithiol
Molecular Formula:
C
10
H
8
S
2
Molecular Weight:
192.306 g/mol
Cas Number:
5325-88-2
EINECS Number:
-
1-methyl-9H-carbazole-2-carbaldehyde
Molecular Formula:
C
14
H
11
NO
Molecular Weight:
209.247 g/mol
Cas Number:
5531-68-0
EINECS Number:
-
1,2-dimethyl-9H-carbazole
Molecular Formula:
C
14
H
13
N
Molecular Weight:
195.264 g/mol
Cas Number:
18992-67-1
EINECS Number:
-
2-butyl-3-ethyl-2-hydroxycyclobutanone
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
-
EINECS Number:
-
5-isopropyl-7b-methyl-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
Molecular Formula:
C
14
H
18
O
Molecular Weight:
202.296 g/mol
Cas Number:
-
EINECS Number:
-
1-(6-isopropyl-3,4-dihydro-2-naphthalenyl)pyrrolidine
Molecular Formula:
C
17
H
23
N
Molecular Weight:
241.376 g/mol
Cas Number:
-
EINECS Number:
-
1-(6-isopropyl-1-methyl-3,4-dihydro-2-naphthalenyl)pyrrolidine
Molecular Formula:
C
18
H
25
N
Molecular Weight:
255.403 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dioxido-3-thietanyl phenyl sulfide
Molecular Formula:
C
9
H
10
O
2
S
2
Molecular Weight:
214.309 g/mol
Cas Number:
75299-22-8
EINECS Number:
-
methyl (5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl ether
Molecular Formula:
C
6
H
13
O
3
P
Molecular Weight:
164.141 g/mol
Cas Number:
-
EINECS Number:
-
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Molecular Formula:
C
6
H
11
O
3
P
Molecular Weight:
162.125 g/mol
Cas Number:
824-11-3
EINECS Number:
-
2-benzyl-5-(chloromethyl)-5-ethyl-1,3,2-dioxaphosphinane 2-oxide
Molecular Formula:
C
13
H
18
ClO
3
P
Molecular Weight:
288.711 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxy-5-pyrrolidin-2-yl-1H-pyrrole-2-carboxylic acid methyl ester
Molecular Formula:
C
11
H
16
N
2
O
3
Molecular Weight:
224.26 g/mol
Cas Number:
-
EINECS Number:
-
5-carbethoxy-4-methoxy-1H-pyrrole-3-carboxylic acid
Molecular Formula:
C
9
H
11
NO
5
Molecular Weight:
213.19 g/mol
Cas Number:
-
EINECS Number:
-
4-carbethoxy-3-methoxy-1H-pyrrole-2-carboxylic acid
Molecular Formula:
C
9
H
11
NO
5
Molecular Weight:
213.19 g/mol
Cas Number:
-
EINECS Number:
-
4,4,4-trifluoro-1-phenyl-1-butanone
Molecular Formula:
C
10
H
9
F
3
O
Molecular Weight:
202.176 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dichloro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene
Molecular Formula:
C
10
H
8
Cl
2
O
Molecular Weight:
215.078 g/mol
Cas Number:
-
EINECS Number:
-
2-(2,4-dinitrophenyl)cyclohexanone
Molecular Formula:
C
12
H
12
N
2
O
5
Molecular Weight:
264.238 g/mol
Cas Number:
21442-55-7
EINECS Number:
-
1-(2,2-dichlorovinyl)-4-nitrobenzene
Molecular Formula:
C
8
H
5
Cl
2
NO
2
Molecular Weight:
218.039 g/mol
Cas Number:
-
EINECS Number:
-
2-methylsulfinyl-1,1-diphenylethanol
Molecular Formula:
C
15
H
16
O
2
S
Molecular Weight:
260.357 g/mol
Cas Number:
2863-39-0
EINECS Number:
-
ethylidene-triphenylphosphorane
Molecular Formula:
C
20
H
19
P
Molecular Weight:
290.345 g/mol
Cas Number:
1754-88-7
EINECS Number:
-
phenyl(2-phenylcyclopropyl)methanone
Molecular Formula:
C
16
H
14
O
Molecular Weight:
222.287 g/mol
Cas Number:
1145-92-2
EINECS Number:
-
3,6-pyridazinedione
Molecular Formula:
C
4
H
2
N
2
O
2
Molecular Weight:
110.072 g/mol
Cas Number:
-
EINECS Number:
-
1,4-phthalazinedione
Molecular Formula:
C
8
H
4
N
2
O
2
Molecular Weight:
160.132 g/mol
Cas Number:
20116-64-7
EINECS Number:
-
(E)-aziridin-1-yl-(4-nitrophenyl)-diazene
Molecular Formula:
C
8
H
8
N
4
O
2
Molecular Weight:
192.177 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole
Molecular Formula:
C
8
H
8
N
4
O
2
Molecular Weight:
192.177 g/mol
Cas Number:
92335-33-6
EINECS Number:
-
2,4,5-trimethyl-4-(trichloromethyl)-2,5-cyclohexadien-1-one
Molecular Formula:
C
10
H
11
Cl
3
O
Molecular Weight:
253.555 g/mol
Cas Number:
90920-19-7
EINECS Number:
-
1-chloro-2,4-dimethyl-5-(2,2,2-trichloroethyl)benzene
Molecular Formula:
C
10
H
10
Cl
4
Molecular Weight:
272 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3,5-cycloheptadien-1-one
Molecular Formula:
C
8
H
10
O
Molecular Weight:
122.167 g/mol
Cas Number:
42104-03-0
EINECS Number:
-
1,3-dicyclohexyl-hexahydro-pyrimidine-2,4,6-trione
Molecular Formula:
C
16
H
24
N
2
O
3
Molecular Weight:
292.378 g/mol
Cas Number:
35824-91-0
EINECS Number:
-
N-cyclohexyl-N'-phenylcarbodiimide
Molecular Formula:
C
13
H
16
N
2
Molecular Weight:
200.284 g/mol
Cas Number:
-
EINECS Number:
-
N,N'-bis(4-nitrophenyl)carbodiimide
Molecular Formula:
C
13
H
8
N
4
O
4
Molecular Weight:
284.231 g/mol
Cas Number:
738-66-9
EINECS Number:
-
1,1-diphenyl-1,3-dihydro-2H-inden-2-one
Molecular Formula:
C
21
H
16
O
Molecular Weight:
284.357 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dihydro-1H-pyrrole-2-carboxamide
Molecular Formula:
C
5
H
8
N
2
O
Molecular Weight:
112.131 g/mol
Cas Number:
-
EINECS Number:
-
benzyl 2,5-dihydroxy-2,5-dihydro-1H-pyrrole-1-carboxylate
Molecular Formula:
C
12
H
13
NO
4
Molecular Weight:
235.24 g/mol
Cas Number:
-
EINECS Number:
-
(2,2-dichloro-1,1-dimethylethyl)benzene
Molecular Formula:
C
10
H
12
Cl
2
Molecular Weight:
203.111 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dibromo-vinyl-benzene
Molecular Formula:
C
8
H
6
Br
2
Molecular Weight:
261.944 g/mol
Cas Number:
31780-26-4
EINECS Number:
-
1,1-dimethyl-2,2-bis(trifluoromethyl)diphosphane
Molecular Formula:
C
4
H
6
F
6
P
2
Molecular Weight:
230.03 g/mol
Cas Number:
666-62-6
EINECS Number:
-
1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
Molecular Formula:
C
7
H
6
N
2
O
3
S
Molecular Weight:
198.202 g/mol
Cas Number:
-
EINECS Number:
-
N,N-bis(trifluoromethyl)benzamide
Molecular Formula:
C
9
H
5
F
6
NO
Molecular Weight:
257.135 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-azidophenyl)-2H-1,2,3-benzotriazole
Molecular Formula:
C
12
H
8
N
6
Molecular Weight:
236.236 g/mol
Cas Number:
15284-70-5
EINECS Number:
-
(2,3-diphenyl-2-cyclopropen-1-yl)methanol
Molecular Formula:
C
16
H
14
O
Molecular Weight:
222.287 g/mol
Cas Number:
-
EINECS Number:
-
1,4-Bis(dicyanomethylene)cyclohexane
Molecular Formula:
C
12
H
8
N
4
Molecular Weight:
208.222 g/mol
Cas Number:
1518-15-6
EINECS Number:
-
7,7,8,8-Tetracyanoquinodimethane
Molecular Formula:
C
12
H
4
N
4
Molecular Weight:
204.191 g/mol
Cas Number:
1518-16-7
EINECS Number:
216-174-8
N-phenyl-2-thiophenecarboxamide
Molecular Formula:
C
11
H
9
NOS
Molecular Weight:
203.265 g/mol
Cas Number:
-
EINECS Number:
-
bicyclo[2.2.2]oct-5-en-2-ylacetonitrile
Molecular Formula:
C
10
H
13
N
Molecular Weight:
147.22 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-methyl-1,2-dihydro-1-naphthalenyl)ethyl methanesulfonate
Molecular Formula:
C
14
H
18
O
3
S
Molecular Weight:
266.361 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-6-hydroxy-1,3,5-triazine-2-carbonitrile
Molecular Formula:
C
4
H
3
N
5
O
Molecular Weight:
137.101 g/mol
Cas Number:
-
EINECS Number:
-
5-phenylsulfanyl-pentan-2-ol
Molecular Formula:
C
11
H
16
OS
Molecular Weight:
196.313 g/mol
Cas Number:
-
EINECS Number:
-
4-isopropenyl-1-methyl-norcaran-2-one
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-5-styryl-thiophene-2-carboxylic acid methyl ester
Molecular Formula:
C
14
H
13
NO
2
S
Molecular Weight:
259.329 g/mol
Cas Number:
-
EINECS Number:
-
Biphenylene
Molecular Formula:
C
12
H
8
Molecular Weight:
152.196 g/mol
Cas Number:
259-79-0
EINECS Number:
-
norcarane-7-carboxylic acid
Molecular Formula:
C
8
H
12
O
2
Molecular Weight:
140.182 g/mol
Cas Number:
21448-77-1
EINECS Number:
-
3,3-dimethyl-1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline
Molecular Formula:
C
13
H
17
N
Molecular Weight:
187.285 g/mol
Cas Number:
-
EINECS Number:
-
1-fluorocyclohexyl fluoridocarbonate
Molecular Formula:
C
7
H
10
F
2
O
2
Molecular Weight:
164.152 g/mol
Cas Number:
-
EINECS Number:
-
1,1-difluorocyclohexane
Molecular Formula:
C
6
H
10
F
2
Molecular Weight:
120.142 g/mol
Cas Number:
371-90-4
EINECS Number:
-
difluoro-N,N-dimethylmethanamine
Molecular Formula:
C
3
H
7
F
2
N
Molecular Weight:
95.092 g/mol
Cas Number:
683-81-8
EINECS Number:
-
phenyldicarbonimidic difluoride
Molecular Formula:
C
8
H
5
F
2
NO
2
Molecular Weight:
185.13 g/mol
Cas Number:
-
EINECS Number:
-
3-ethyl-3-pentanol
Molecular Formula:
C
7
H
16
O
Molecular Weight:
116.203 g/mol
Cas Number:
597-49-9
EINECS Number:
209-902-0
1,2,3-trithiole-4,5-dicarbonitrile 2-oxide
Molecular Formula:
C
4
N
2
OS
3
Molecular Weight:
188.255 g/mol
Cas Number:
-
EINECS Number:
-
[1,4]dithiino[2,3-c]isothiazole-3,5,6-tricarbonitrile
Molecular Formula:
C
8
N
4
S
3
Molecular Weight:
248.313 g/mol
Cas Number:
-
EINECS Number:
-
1,4-dithiine-2,3,5,6-tetracarbonitrile
Molecular Formula:
C
8
N
4
S
2
Molecular Weight:
216.247 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dicyano-2,5-thiophenedicarboxamide
Molecular Formula:
C
8
H
4
N
4
O
2
S
Molecular Weight:
220.212 g/mol
Cas Number:
-
EINECS Number:
-
4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-dicarbonitrile
Molecular Formula:
C
8
HN
3
O
2
S
Molecular Weight:
203.181 g/mol
Cas Number:
-
EINECS Number:
-
2,3,4,5-thiophenetetracarboxamide
Molecular Formula:
C
8
H
8
N
4
O
4
S
Molecular Weight:
256.242 g/mol
Cas Number:
-
EINECS Number:
-
4-cyclohepten-1-yl acetate
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-N-cyclohexyl-3-phenylpropanamide
Molecular Formula:
C
15
H
22
N
2
O
Molecular Weight:
246.353 g/mol
Cas Number:
-
EINECS Number:
-
1-tert-butyl-3-phenyl-2-aziridinone
Molecular Formula:
C
12
H
15
NO
Molecular Weight:
189.257 g/mol
Cas Number:
-
EINECS Number:
-
3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one
Molecular Formula:
C
9
H
13
NO
Molecular Weight:
151.208 g/mol
Cas Number:
936-85-6
EINECS Number:
-
4-dimethylamino-3,3-dimethyl-1-phenylazetidin-2-one
Molecular Formula:
C
13
H
18
N
2
O
Molecular Weight:
218.299 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-3-oxo-N-phenylpropanamide
Molecular Formula:
C
11
H
13
NO
2
Molecular Weight:
191.23 g/mol
Cas Number:
2769-45-1
EINECS Number:
-
3-oxo-1,3-dihydro-2-benzofuran-1-ylphosphonic acid
Molecular Formula:
C
8
H
7
O
5
P
Molecular Weight:
214.114 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 3-oxo-1,3-dihydro-2-benzofuran-1-ylphosphonate
Molecular Formula:
C
12
H
15
O
5
P
Molecular Weight:
270.222 g/mol
Cas Number:
-
EINECS Number:
-
(3-pyridinylamino)acetonitrile
Molecular Formula:
C
7
H
7
N
3
Molecular Weight:
133.153 g/mol
Cas Number:
-
EINECS Number:
-
(3-pyridinylamino)acetic acid
Molecular Formula:
C
7
H
8
N
2
O
2
Molecular Weight:
152.153 g/mol
Cas Number:
6345-28-4
EINECS Number:
-
2,6-dimethyl-3,5-diphenyl-4H-pyran-4-one
Molecular Formula:
C
19
H
16
O
2
Molecular Weight:
276.335 g/mol
Cas Number:
33731-54-3
EINECS Number:
-
5-methyl-11H-benzo[a]fluoren-11-ol
Molecular Formula:
C
18
H
14
O
Molecular Weight:
246.309 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-11H-benzo[a]fluorene
Molecular Formula:
C
18
H
14
Molecular Weight:
230.309 g/mol
Cas Number:
-
EINECS Number:
-
1,2,3,4,5,6,7,8-octahydro-1-naphthalenol
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
1,2,3,4,5,6,7,8-octahydro-1-naphthalenyl vinyl ether
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
-
EINECS Number:
-
1,3,4,5,6,7-hexahydro-4a(2H)-naphthalenylacetaldehyde
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
-
EINECS Number:
-
N,N,2-trimethyl-3-pentyn-2-amine
Molecular Formula:
C
8
H
15
N
Molecular Weight:
125.214 g/mol
Cas Number:
14010-73-2
EINECS Number:
-
N,N-diethyl-2-methyl-3-pentyn-2-amine
Molecular Formula:
C
10
H
19
N
Molecular Weight:
153.268 g/mol
Cas Number:
-
EINECS Number:
-
1
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