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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 46
2-diethoxyphosphoryl-N,N-diethylethanamine
Molecular Formula:
C
10
H
24
NO
3
P
Molecular Weight:
237.279 g/mol
Cas Number:
3958-23-4
EINECS Number:
-
2,2-diethyl-1,3-propanediol
Molecular Formula:
C
7
H
16
O
2
Molecular Weight:
132.203 g/mol
Cas Number:
115-76-4
EINECS Number:
204-103-3
azepane
Molecular Formula:
C
6
H
13
N
Molecular Weight:
99.176 g/mol
Cas Number:
111-49-9
EINECS Number:
203-875-9
Atranol
Molecular Formula:
C
8
H
8
O
3
Molecular Weight:
152.15 g/mol
Cas Number:
526-37-4
EINECS Number:
-
5-hydroxy-7-methyl-2H-chromen-2-one
Molecular Formula:
C
10
H
8
O
3
Molecular Weight:
176.172 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-3-(2,6-dihydroxy-4-methylphenyl)-2-propenoic acid
Molecular Formula:
C
10
H
10
O
4
Molecular Weight:
194.187 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E)-3-(2,6-dihydroxy-4-methylphenyl)-2-propenoate
Molecular Formula:
C
11
H
12
O
4
Molecular Weight:
208.214 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-3-(2-nitrophenyl)diazenylpyran-2,4-dione
Molecular Formula:
C
12
H
9
N
3
O
5
Molecular Weight:
275.221 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-hexanoylsuccinate
Molecular Formula:
C
14
H
24
O
5
Molecular Weight:
272.342 g/mol
Cas Number:
7598-33-6
EINECS Number:
-
4-hydroxy-3-methoxybenzonitrile
Molecular Formula:
C
8
H
7
NO
2
Molecular Weight:
149.149 g/mol
Cas Number:
4421-08-3
EINECS Number:
224-589-0
1,2-bis(3-vinylphenyl)hydrazine
Molecular Formula:
C
16
H
16
N
2
Molecular Weight:
236.317 g/mol
Cas Number:
-
EINECS Number:
-
5-Bromonicotinic acid
Molecular Formula:
C
6
H
4
BrNO
2
Molecular Weight:
202.007 g/mol
Cas Number:
20826-04-4
EINECS Number:
244-065-5
N-methyl-1-nitroso-2-naphthalenamine
Molecular Formula:
C
11
H
10
N
2
O
Molecular Weight:
186.213 g/mol
Cas Number:
-
EINECS Number:
-
1-(3-methyl-3H-naphtho[1,2-d]imidazol-2-yl)ethanol
Molecular Formula:
C
14
H
14
N
2
O
Molecular Weight:
226.278 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-cyclohexen-1-yl)ethanol
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
3197-68-0
EINECS Number:
-
2-dimethylamino-2-methylpropanal
Molecular Formula:
C
6
H
13
NO
Molecular Weight:
115.175 g/mol
Cas Number:
16042-92-5
EINECS Number:
-
ethyl (2E)-2-heptenoate
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
35066-42-3
EINECS Number:
-
methyl 4-oxopentanoate
Molecular Formula:
C
6
H
10
O
3
Molecular Weight:
130.144 g/mol
Cas Number:
624-45-3
EINECS Number:
210-846-4
4-amino-2,3,6-trimethylphenol
Molecular Formula:
C
9
H
13
NO
Molecular Weight:
151.208 g/mol
Cas Number:
17959-06-7
EINECS Number:
-
phenyl chloridosulfite
Molecular Formula:
C
6
H
5
ClO
2
S
Molecular Weight:
176.623 g/mol
Cas Number:
-
EINECS Number:
-
2-benzylsulfanyl-1-phenylethanone
Molecular Formula:
C
15
H
14
OS
Molecular Weight:
242.342 g/mol
Cas Number:
2408-88-0
EINECS Number:
-
2-benzoylbenzoic acid
Molecular Formula:
C
14
H
10
O
3
Molecular Weight:
226.232 g/mol
Cas Number:
85-52-9
EINECS Number:
201-612-2
ethyl 3-acetamido-2-oxopiperidine-3-carboxylate
Molecular Formula:
C
10
H
16
N
2
O
4
Molecular Weight:
228.248 g/mol
Cas Number:
-
EINECS Number:
-
1-butoxyethyl acetate
Molecular Formula:
C
8
H
16
O
3
Molecular Weight:
160.213 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-butoxyethoxy)butane
Molecular Formula:
C
10
H
22
O
2
Molecular Weight:
174.283 g/mol
Cas Number:
871-22-7
EINECS Number:
-
9H-thioxanthen-9-ylacetic acid
Molecular Formula:
C
15
H
12
O
2
S
Molecular Weight:
256.325 g/mol
Cas Number:
-
EINECS Number:
-
4-phenethyl-phenol
Molecular Formula:
C
14
H
14
O
Molecular Weight:
198.265 g/mol
Cas Number:
6335-83-7
EINECS Number:
-
1,1-dimethyl-2-oxopropyl acetate
Molecular Formula:
C
7
H
12
O
3
Molecular Weight:
144.17 g/mol
Cas Number:
10235-71-9
EINECS Number:
-
2-oxo-1-oxaspiro[4.5]decane-4-carboxylic acid
Molecular Formula:
C
10
H
14
O
4
Molecular Weight:
198.219 g/mol
Cas Number:
2819-56-9
EINECS Number:
-
(E)-4-(4-dimethylaminophenyl)-but-3-en-2-one
Molecular Formula:
C
12
H
15
NO
Molecular Weight:
189.257 g/mol
Cas Number:
5432-53-1
EINECS Number:
-
2,2-dibutylhexanoic acid
Molecular Formula:
C
14
H
28
O
2
Molecular Weight:
228.375 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxyimino-N,N'-diphenylpropanediamide
Molecular Formula:
C
15
H
13
N
3
O
3
Molecular Weight:
283.287 g/mol
Cas Number:
-
EINECS Number:
-
1,2,4-naphthalenetriol
Molecular Formula:
C
10
H
8
O
3
Molecular Weight:
176.172 g/mol
Cas Number:
13302-67-5
EINECS Number:
-
4-(acetyloxy)-1-naphthyl acetate
Molecular Formula:
C
14
H
12
O
4
Molecular Weight:
244.247 g/mol
Cas Number:
5697-00-7
EINECS Number:
-
5,8-dihydro-1,4-naphthalenedione
Molecular Formula:
C
10
H
8
O
2
Molecular Weight:
160.172 g/mol
Cas Number:
6295-28-9
EINECS Number:
-
5,8-dihydro-1,4-naphthalenediol
Molecular Formula:
C
10
H
10
O
2
Molecular Weight:
162.188 g/mol
Cas Number:
3090-45-7
EINECS Number:
-
2-(3-cyclohexylpropyl)-3-hydroxynaphthoquinone
Molecular Formula:
C
19
H
22
O
3
Molecular Weight:
298.382 g/mol
Cas Number:
18100-05-5
EINECS Number:
-
ethyl 10-chloro-10-oxodecanoate
Molecular Formula:
C
12
H
21
ClO
3
Molecular Weight:
248.75 g/mol
Cas Number:
6946-46-9
EINECS Number:
-
4-naphthalen-2-yl-butyric acid
Molecular Formula:
C
14
H
14
O
2
Molecular Weight:
214.264 g/mol
Cas Number:
782-28-5
EINECS Number:
-
(3E)-3-methyl-3-nonenoic acid
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
35205-77-7
EINECS Number:
-
(2E)-3-methyl-2-nonenoic acid
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
35205-76-6
EINECS Number:
-
3,4-dioxo-3,4-dihydro-1-naphthalenylcyanamide
Molecular Formula:
C
11
H
6
N
2
O
2
Molecular Weight:
198.181 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-3-isopentylnaphthoquinone
Molecular Formula:
C
15
H
16
O
3
Molecular Weight:
244.29 g/mol
Cas Number:
3343-38-2
EINECS Number:
-
7-methoxy-2-(4-methoxyphenyl)-1,3-naphthalenediol
Molecular Formula:
C
18
H
16
O
4
Molecular Weight:
296.323 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-1-decene
Molecular Formula:
C
11
H
22
Molecular Weight:
154.296 g/mol
Cas Number:
-
EINECS Number:
-
N-(2,6-dichloro-4-sulfamoylphenyl)acetamide
Molecular Formula:
C
8
H
8
Cl
2
N
2
O
3
S
Molecular Weight:
283.135 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
Molecular Formula:
C
12
H
12
N
2
O
3
Molecular Weight:
232.239 g/mol
Cas Number:
5435-82-5
EINECS Number:
-
4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid ethyl ester
Molecular Formula:
C
12
H
12
N
2
O
3
Molecular Weight:
232.239 g/mol
Cas Number:
13250-96-9
EINECS Number:
-
6-oxo-6-phenylhexanoic acid
Molecular Formula:
C
12
H
14
O
3
Molecular Weight:
206.241 g/mol
Cas Number:
4144-62-1
EINECS Number:
-
6-cyclohexyl-6-oxohexanoic acid
Molecular Formula:
C
12
H
20
O
3
Molecular Weight:
212.289 g/mol
Cas Number:
20606-25-1
EINECS Number:
-
(2E)-4-(2,4-dimethylphenyl)-4-oxo-2-butenoic acid
Molecular Formula:
C
12
H
12
O
3
Molecular Weight:
204.225 g/mol
Cas Number:
22660-11-3
EINECS Number:
-
Meldrum's acid
Molecular Formula:
C
6
H
8
O
4
Molecular Weight:
144.127 g/mol
Cas Number:
2033-24-1
EINECS Number:
217-992-8
3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde oxime
Molecular Formula:
C
8
H
10
N
2
O
3
Molecular Weight:
182.179 g/mol
Cas Number:
708-08-7
EINECS Number:
-
(4-cyano-5-hydroxy-6-methyl-3-pyridinyl)methyl acetate
Molecular Formula:
C
10
H
10
N
2
O
3
Molecular Weight:
206.201 g/mol
Cas Number:
-
EINECS Number:
-
4-Pyridoxic acid lactone
Molecular Formula:
C
8
H
7
NO
3
Molecular Weight:
165.149 g/mol
Cas Number:
4753-19-9
EINECS Number:
-
4-(aminocarbonyl)phenyl phenylcarbamate
Molecular Formula:
C
14
H
12
N
2
O
3
Molecular Weight:
256.261 g/mol
Cas Number:
-
EINECS Number:
-
4-[(anilinocarbonyl)oxy]phenylcarbamic acid
Molecular Formula:
C
14
H
12
N
2
O
4
Molecular Weight:
272.26 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-(acetyloxy)-2-(3-oxopropyl)malonate
Molecular Formula:
C
12
H
18
O
7
Molecular Weight:
274.271 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-(3-oxopropylidene)malonate
Molecular Formula:
C
10
H
14
O
5
Molecular Weight:
214.218 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-bromo-2-(3-oxopropyl)malonate
Molecular Formula:
C
10
H
15
BrO
5
Molecular Weight:
295.13 g/mol
Cas Number:
-
EINECS Number:
-
2-[2-(diethylamino)ethyl]-1H-benzo[f]isoindole-1,3(2H)-dione
Molecular Formula:
C
18
H
20
N
2
O
2
Molecular Weight:
296.369 g/mol
Cas Number:
-
EINECS Number:
-
2,5-ditert-butylthiophene
Molecular Formula:
C
12
H
20
S
Molecular Weight:
196.357 g/mol
Cas Number:
1689-77-6
EINECS Number:
-
2-(1,1,3,3-tetramethylbutyl)thiophene
Molecular Formula:
C
12
H
20
S
Molecular Weight:
196.357 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 6-chloro-6-oxohexanoate
Molecular Formula:
C
8
H
13
ClO
3
Molecular Weight:
192.642 g/mol
Cas Number:
1071-71-2
EINECS Number:
-
ethyl 5-bromo-6-chloro-6-oxohexanoate
Molecular Formula:
C
8
H
12
BrClO
3
Molecular Weight:
271.538 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-bromohexanedioate
Molecular Formula:
C
10
H
17
BrO
4
Molecular Weight:
281.147 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-chlorohexanedioate
Molecular Formula:
C
10
H
17
ClO
4
Molecular Weight:
236.695 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-chloro-2-phenylacetate
Molecular Formula:
C
10
H
11
ClO
2
Molecular Weight:
198.649 g/mol
Cas Number:
4773-33-5
EINECS Number:
225-315-2
N-pyridin-2-yl-benzamide
Molecular Formula:
C
12
H
10
N
2
O
Molecular Weight:
198.224 g/mol
Cas Number:
4589-12-2
EINECS Number:
-
N-phenyl-2-pyridinecarboxamide
Molecular Formula:
C
12
H
10
N
2
O
Molecular Weight:
198.224 g/mol
Cas Number:
-
EINECS Number:
-
2-[(2E)-2-butenyl]-5-hydroxy-3-methyl-2-cyclopenten-1-one
Molecular Formula:
C
10
H
14
O
2
Molecular Weight:
166.22 g/mol
Cas Number:
-
EINECS Number:
-
5-hexenenitrile
Molecular Formula:
C
6
H
9
N
Molecular Weight:
95.144 g/mol
Cas Number:
5048-19-1
EINECS Number:
-
2,2,3-trimethylbutanoic acid
Molecular Formula:
C
7
H
14
O
2
Molecular Weight:
130.187 g/mol
Cas Number:
49714-52-5
EINECS Number:
-
1H-[1,3]dioxino[5,4-f]quinoline
Molecular Formula:
C
11
H
9
NO
2
Molecular Weight:
187.198 g/mol
Cas Number:
230-09-1
EINECS Number:
-
3-isobutyl-2-heptanone
Molecular Formula:
C
11
H
22
O
Molecular Weight:
170.295 g/mol
Cas Number:
-
EINECS Number:
-
9-oxo-9H-fluorene-2-carboxylic acid
Molecular Formula:
C
14
H
8
O
3
Molecular Weight:
224.216 g/mol
Cas Number:
784-50-9
EINECS Number:
212-317-3
N-(1-nitro-4,5,6,7-tetrahydro-1,3-diazepin-2-yl)nitramide
Molecular Formula:
C
5
H
9
N
5
O
4
Molecular Weight:
203.158 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dinitro-1,3-diazepan-2-one
Molecular Formula:
C
5
H
8
N
4
O
5
Molecular Weight:
204.142 g/mol
Cas Number:
-
EINECS Number:
-
3-hydroxy-4-(2-methylphenyl)-1H-pyrrole-2,5-dione
Molecular Formula:
C
11
H
9
NO
3
Molecular Weight:
203.197 g/mol
Cas Number:
-
EINECS Number:
-
1,3-bis(2-thienylmethyl)-1,3-diazetidine
Molecular Formula:
C
12
H
14
N
2
S
2
Molecular Weight:
250.389 g/mol
Cas Number:
-
EINECS Number:
-
7-(4-methoxyphenyl)-7-oxoheptanoic acid
Molecular Formula:
C
14
H
18
O
4
Molecular Weight:
250.295 g/mol
Cas Number:
21244-11-1
EINECS Number:
-
N-(1,1,3,3-tetramethylbutyl)acetamide
Molecular Formula:
C
10
H
21
NO
Molecular Weight:
171.283 g/mol
Cas Number:
5459-42-7
EINECS Number:
-
Phentermine
Molecular Formula:
C
10
H
15
N
Molecular Weight:
149.236 g/mol
Cas Number:
122-09-8
EINECS Number:
-
2-allyl-2-(2-thienylmethyl)malonic acid
Molecular Formula:
C
11
H
12
O
4
S
Molecular Weight:
240.28 g/mol
Cas Number:
-
EINECS Number:
-
N-(4-hydroxy-2-methyl-6-quinolinyl)acetamide
Molecular Formula:
C
12
H
12
N
2
O
2
Molecular Weight:
216.24 g/mol
Cas Number:
1140-81-4
EINECS Number:
-
5-chloro-4-(chloromethyl)-4-methyl-2-pentanone
Molecular Formula:
C
7
H
12
Cl
2
O
Molecular Weight:
183.077 g/mol
Cas Number:
-
EINECS Number:
-
5-chloro-4-(chloromethyl)-2,4-dimethyl-1-pentene
Molecular Formula:
C
8
H
14
Cl
2
Molecular Weight:
181.105 g/mol
Cas Number:
-
EINECS Number:
-
4-[1-ethyl-2-(4-hydroxycyclohexyl)butyl]phenol
Molecular Formula:
C
18
H
28
O
2
Molecular Weight:
276.419 g/mol
Cas Number:
-
EINECS Number:
-
N-carbamoyl-3-ethylpentanamide
Molecular Formula:
C
8
H
16
N
2
O
2
Molecular Weight:
172.227 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-piperidinylmethyl)-2-naphthol
Molecular Formula:
C
16
H
19
NO
Molecular Weight:
241.333 g/mol
Cas Number:
5342-95-0
EINECS Number:
-
2,3-pyridinedicarboxylic acid
Molecular Formula:
C
7
H
5
NO
4
Molecular Weight:
167.121 g/mol
Cas Number:
89-00-9
EINECS Number:
201-874-8
4-hydroxy-4-phenylbutanoic acid
Molecular Formula:
C
10
H
12
O
3
Molecular Weight:
180.203 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-4-phenylbutanamide
Molecular Formula:
C
10
H
13
NO
2
Molecular Weight:
179.219 g/mol
Cas Number:
-
EINECS Number:
-
2,6-dichloro-3-cyclopentyl-5-methylpyridine
Molecular Formula:
C
11
H
13
Cl
2
N
Molecular Weight:
230.136 g/mol
Cas Number:
-
EINECS Number:
-
1-(2,6-dimethyl-1-cyclohexen-1-yl)-2,4-dimethylbenzene
Molecular Formula:
C
16
H
22
Molecular Weight:
214.351 g/mol
Cas Number:
-
EINECS Number:
-
6-methoxy-3,4-dihydro-2H-phenanthren-1-one
Molecular Formula:
C
15
H
14
O
2
Molecular Weight:
226.275 g/mol
Cas Number:
-
EINECS Number:
-
7-methyl-4-quinolinecarbonitrile
Molecular Formula:
C
11
H
8
N
2
Molecular Weight:
168.198 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-3-(2-chlorophenyl)-3-methoxy-1-phenyl-2-propen-1-one
Molecular Formula:
C
16
H
13
ClO
2
Molecular Weight:
272.731 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-chlorophenyl)-3-phenyl-1,3-propanedione
Molecular Formula:
C
15
H
11
ClO
2
Molecular Weight:
258.704 g/mol
Cas Number:
-
EINECS Number:
-
5,5-diphenyl-tetrahydro-furan-2-one
Molecular Formula:
C
16
H
14
O
2
Molecular Weight:
238.286 g/mol
Cas Number:
7746-94-3
EINECS Number:
-
1
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