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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 37
4-(1,5-dimethyl-4-hexenyl)phenyl methyl ether
Molecular Formula:
C
15
H
22
O
Molecular Weight:
218.339 g/mol
Cas Number:
-
EINECS Number:
-
4-(1,5-dimethyl-4-hexenyl)-1,4-cyclohexadien-1-yl methyl ether
Molecular Formula:
C
15
H
24
O
Molecular Weight:
220.355 g/mol
Cas Number:
-
EINECS Number:
-
4-(1,5-dimethyl-4-hexenyl)-3-cyclohexen-1-one
Molecular Formula:
C
14
H
22
O
Molecular Weight:
206.328 g/mol
Cas Number:
-
EINECS Number:
-
N-azulen-1-yl-acetamide
Molecular Formula:
C
12
H
11
NO
Molecular Weight:
185.225 g/mol
Cas Number:
23702-21-8
EINECS Number:
-
5,7-dihydroxy-2,6-dimethyl-4H-chromen-4-one
Molecular Formula:
C
11
H
10
O
4
Molecular Weight:
206.198 g/mol
Cas Number:
491-48-5
EINECS Number:
-
6-hydroxy-4-methoxy-1-benzofuran-5-carboxylic acid
Molecular Formula:
C
10
H
8
O
5
Molecular Weight:
208.171 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl 1-oxaspiro[2.5]octane-2-carboxylate
Molecular Formula:
C
12
H
20
O
3
Molecular Weight:
212.289 g/mol
Cas Number:
-
EINECS Number:
-
6-oxononanoic acid
Molecular Formula:
C
9
H
16
O
3
Molecular Weight:
172.224 g/mol
Cas Number:
4144-58-5
EINECS Number:
-
methyl 1-benzyl-2-aziridinecarboxylate
Molecular Formula:
C
11
H
13
NO
2
Molecular Weight:
191.23 g/mol
Cas Number:
-
EINECS Number:
-
5-(2-aminoethyl)-2-methoxyphenol
Molecular Formula:
C
9
H
13
NO
2
Molecular Weight:
167.208 g/mol
Cas Number:
645-33-0
EINECS Number:
-
1-(2-methoxyphenyl)piperidine
Molecular Formula:
C
12
H
17
NO
Molecular Weight:
191.273 g/mol
Cas Number:
5181-06-6
EINECS Number:
-
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
Molecular Formula:
C
10
H
9
NO
3
Molecular Weight:
191.186 g/mol
Cas Number:
2971-31-5
EINECS Number:
-
(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanoic acid
Molecular Formula:
C
11
H
9
NO
3
Molecular Weight:
203.197 g/mol
Cas Number:
-
EINECS Number:
-
2,5-diphenyl-2H-tetraazole
Molecular Formula:
C
13
H
10
N
4
Molecular Weight:
222.249 g/mol
Cas Number:
18039-45-7
EINECS Number:
-
(2,3-dimethoxyphenyl)(2,3,5,6-tetramethylphenyl)methanimine
Molecular Formula:
C
19
H
23
NO
2
Molecular Weight:
297.397 g/mol
Cas Number:
-
EINECS Number:
-
2-(glycylamino)acetic acid
Molecular Formula:
C
4
H
8
N
2
O
3
Molecular Weight:
132.119 g/mol
Cas Number:
556-50-3
EINECS Number:
209-127-8
2-(2-methylaminoethoxy)-2,2-diphenylacetic acid
Molecular Formula:
C
17
H
19
NO
3
Molecular Weight:
285.343 g/mol
Cas Number:
-
EINECS Number:
-
butyl 3-oxobutanoate
Molecular Formula:
C
8
H
14
O
3
Molecular Weight:
158.197 g/mol
Cas Number:
591-60-6
EINECS Number:
-
erythrinan-10-one
Molecular Formula:
C
16
H
19
NO
Molecular Weight:
241.333 g/mol
Cas Number:
-
EINECS Number:
-
5,6-dimethoxy-1H-indole
Molecular Formula:
C
10
H
11
NO
2
Molecular Weight:
177.203 g/mol
Cas Number:
14430-23-0
EINECS Number:
238-402-5
1-phenyl-1-propanimine
Molecular Formula:
C
9
H
11
N
Molecular Weight:
133.193 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-1-propanamine
Molecular Formula:
C
9
H
13
N
Molecular Weight:
135.209 g/mol
Cas Number:
2941-20-0
EINECS Number:
-
(Z)-1-phenyl-propyl-(1-phenyl-propylidene)-amine
Molecular Formula:
C
18
H
21
N
Molecular Weight:
251.371 g/mol
Cas Number:
-
EINECS Number:
-
N-(4-nitrophenyl)acetamide
Molecular Formula:
C
8
H
8
N
2
O
3
Molecular Weight:
180.163 g/mol
Cas Number:
104-04-1
EINECS Number:
203-169-0
dodecanoic trifluoroacetic anhydride
Molecular Formula:
C
14
H
23
F
3
O
3
Molecular Weight:
296.33 g/mol
Cas Number:
-
EINECS Number:
-
N'-phenylacetohydrazide
Molecular Formula:
C
8
H
10
N
2
O
Molecular Weight:
150.18 g/mol
Cas Number:
114-83-0
EINECS Number:
204-055-3
1,1-bis(bromomethyl)cyclohexane
Molecular Formula:
C
8
H
14
Br
2
Molecular Weight:
270.007 g/mol
Cas Number:
21623-88-1
EINECS Number:
-
4-ethyl-2-(1-ethylpentyl)-1,3-oxazolidine
Molecular Formula:
C
12
H
25
NO
Molecular Weight:
199.337 g/mol
Cas Number:
-
EINECS Number:
-
4-ethyl-2-(1-ethylpentyl)-3-nitro-1,3-oxazolidine
Molecular Formula:
C
12
H
24
N
2
O
3
Molecular Weight:
244.334 g/mol
Cas Number:
-
EINECS Number:
-
2-thienyl hydrosulfide
Molecular Formula:
C
4
H
4
S
2
Molecular Weight:
116.208 g/mol
Cas Number:
7774-74-5
EINECS Number:
231-881-1
N-(2-aminophenyl)-N-phenylacetamide
Molecular Formula:
C
14
H
14
N
2
O
Molecular Weight:
226.278 g/mol
Cas Number:
-
EINECS Number:
-
3-methylpentanoic acid
Molecular Formula:
C
6
H
12
O
2
Molecular Weight:
116.16 g/mol
Cas Number:
10347-93-0
EINECS Number:
203-297-7
[(1E)-1-propenylsulfanyl]benzene
Molecular Formula:
C
9
H
10
S
Molecular Weight:
150.244 g/mol
Cas Number:
22103-05-5
EINECS Number:
-
3-diethoxy-phosphinothioylsulfanyl-propionic acid methyl ester
Molecular Formula:
C
8
H
17
O
4
PS
2
Molecular Weight:
272.326 g/mol
Cas Number:
-
EINECS Number:
-
allyl benzenesulfonate
Molecular Formula:
C
9
H
10
O
3
S
Molecular Weight:
198.243 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-phenyl-4-pyridin-2-ylbutan-1-one
Molecular Formula:
C
16
H
17
NO
Molecular Weight:
239.317 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (phenylsulfonyl)acetate
Molecular Formula:
C
10
H
12
O
4
S
Molecular Weight:
228.269 g/mol
Cas Number:
7605-30-3
EINECS Number:
-
2-(phenylsulfanylcarbonylamino)acetic acid
Molecular Formula:
C
9
H
9
NO
3
S
Molecular Weight:
211.241 g/mol
Cas Number:
21639-45-2
EINECS Number:
-
1,4-dibromopentane
Molecular Formula:
C
5
H
10
Br
2
Molecular Weight:
229.942 g/mol
Cas Number:
626-87-9
EINECS Number:
210-967-2
benzyl 2-amino-3-(1H-imidazol-4-yl)propanoate
Molecular Formula:
C
13
H
15
N
3
O
2
Molecular Weight:
245.281 g/mol
Cas Number:
-
EINECS Number:
-
N-dichloroboranyl-N-methylmethanamine
Molecular Formula:
C
2
H
6
BCl
2
N
Molecular Weight:
125.793 g/mol
Cas Number:
1113-31-1
EINECS Number:
-
6-methoxy-7H-benzo[a]cyclohepten-7-one
Molecular Formula:
C
12
H
10
O
2
Molecular Weight:
186.21 g/mol
Cas Number:
6322-85-6
EINECS Number:
-
1-isopropyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Molecular Formula:
C
14
H
21
NO
2
Molecular Weight:
235.326 g/mol
Cas Number:
-
EINECS Number:
-
4-phenylpentanoic acid
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
16433-43-5
EINECS Number:
-
2-(2,3,5,6-tetramethylbenzoyl)benzohydrazide
Molecular Formula:
C
18
H
20
N
2
O
2
Molecular Weight:
296.369 g/mol
Cas Number:
-
EINECS Number:
-
4-(2,3,5,6-tetramethylphenyl)-1(2H)-phthalazinone
Molecular Formula:
C
18
H
18
N
2
O
Molecular Weight:
278.354 g/mol
Cas Number:
-
EINECS Number:
-
3-(2,3,5,6-tetramethylphenyl)-1H-indazole
Molecular Formula:
C
17
H
18
N
2
Molecular Weight:
250.343 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 1-(2-ethoxy-2-oxoethyl)-3-piperidinecarboxylate
Molecular Formula:
C
12
H
21
NO
4
Molecular Weight:
243.303 g/mol
Cas Number:
-
EINECS Number:
-
1-chloro-2-[(E)-2-(2-chlorophenyl)ethenyl]benzene
Molecular Formula:
C
14
H
10
Cl
2
Molecular Weight:
249.139 g/mol
Cas Number:
4752-74-3
EINECS Number:
-
3-bromothiophene
Molecular Formula:
C
4
H
3
BrS
Molecular Weight:
163.038 g/mol
Cas Number:
872-31-1
EINECS Number:
212-821-3
4,5-dihydro-1,3-oxazole-2-thiol
Molecular Formula:
C
3
H
5
NOS
Molecular Weight:
103.145 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E)-3-nitro-2-propenoate
Molecular Formula:
C
4
H
5
NO
4
Molecular Weight:
131.088 g/mol
Cas Number:
-
EINECS Number:
-
2-[(benzylamino)methyl]-3-pyridinol
Molecular Formula:
C
13
H
14
N
2
O
Molecular Weight:
214.267 g/mol
Cas Number:
-
EINECS Number:
-
1-benzoyl-1,2,3,4-tetrahydro-2-quinolinecarbonitrile
Molecular Formula:
C
17
H
14
N
2
O
Molecular Weight:
262.311 g/mol
Cas Number:
-
EINECS Number:
-
8-chloro-9H-purine-2,6-diol
Molecular Formula:
C
5
H
3
ClN
4
O
2
Molecular Weight:
186.557 g/mol
Cas Number:
13548-68-0
EINECS Number:
-
2,8-dichloro-N,N-diethyl-9H-purin-6-amine
Molecular Formula:
C
9
H
11
Cl
2
N
5
Molecular Weight:
260.125 g/mol
Cas Number:
-
EINECS Number:
-
5-nitro-2-pentanol
Molecular Formula:
C
5
H
11
NO
3
Molecular Weight:
133.147 g/mol
Cas Number:
-
EINECS Number:
-
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyridinyl)acetamide
Molecular Formula:
C
16
H
16
N
2
O
3
Molecular Weight:
284.315 g/mol
Cas Number:
-
EINECS Number:
-
N,4,5-trimethyl-1,3-thiazol-2-amine
Molecular Formula:
C
6
H
10
N
2
S
Molecular Weight:
142.225 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dichlorophenol
Molecular Formula:
C
6
H
4
Cl
2
O
Molecular Weight:
163.003 g/mol
Cas Number:
583-78-8
EINECS Number:
209-520-4
1,2,4-trichlorobenzene
Molecular Formula:
C
6
H
3
Cl
3
Molecular Weight:
181.448 g/mol
Cas Number:
120-82-1
EINECS Number:
204-428-0
3-(methoxymethyl)-1H-indole
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
78440-76-3
EINECS Number:
-
1H-indol-3-ylacetic acid
Molecular Formula:
C
10
H
9
NO
2
Molecular Weight:
175.187 g/mol
Cas Number:
87-51-4
EINECS Number:
201-748-2
1-phenyl-2-(phenylsulfonyl)ethanol
Molecular Formula:
C
14
H
14
O
3
S
Molecular Weight:
262.329 g/mol
Cas Number:
-
EINECS Number:
-
S-ethyl 2,2,3,3,4,4,4-heptafluorobutanethioate
Molecular Formula:
C
6
H
5
F
7
OS
Molecular Weight:
258.16 g/mol
Cas Number:
-
EINECS Number:
-
S-ethyl trifluoroethanethioate
Molecular Formula:
C
4
H
5
F
3
OS
Molecular Weight:
158.144 g/mol
Cas Number:
383-64-2
EINECS Number:
206-852-1
1,1-diethoxy-2,6-nonadiyne
Molecular Formula:
C
13
H
20
O
2
Molecular Weight:
208.301 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 1-[(2E)-2-butenyl]-2-oxohydrazinecarboxylate
Molecular Formula:
C
7
H
12
N
2
O
3
Molecular Weight:
172.184 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2,4-dioxo-3-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Molecular Formula:
C
13
H
12
N
2
O
4
Molecular Weight:
260.249 g/mol
Cas Number:
-
EINECS Number:
-
N,N-diethyl-1-dodecanamine
Molecular Formula:
C
16
H
35
N
Molecular Weight:
241.461 g/mol
Cas Number:
4271-27-6
EINECS Number:
-
3-(9,10-dihydro-9-anthracenyl)propanoic acid
Molecular Formula:
C
17
H
16
O
2
Molecular Weight:
252.313 g/mol
Cas Number:
-
EINECS Number:
-
3-anthracen-9-yl-propionic acid
Molecular Formula:
C
17
H
14
O
2
Molecular Weight:
250.297 g/mol
Cas Number:
41034-83-7
EINECS Number:
-
2-benzyl-1-(phenylsulfonyl)aziridine
Molecular Formula:
C
15
H
15
NO
2
S
Molecular Weight:
273.356 g/mol
Cas Number:
-
EINECS Number:
-
phenyl(5-phenyl-1H-imidazol-2-yl)methanone
Molecular Formula:
C
16
H
12
N
2
O
Molecular Weight:
248.284 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-4-(methyl-(p-tolyl)-phosphoryl)-benzene
Molecular Formula:
C
15
H
17
OP
Molecular Weight:
244.273 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,4-diethoxyphenyl)-2-propanamine
Molecular Formula:
C
13
H
21
NO
2
Molecular Weight:
223.315 g/mol
Cas Number:
-
EINECS Number:
-
5-azonanol
Molecular Formula:
C
8
H
17
NO
Molecular Weight:
143.229 g/mol
Cas Number:
-
EINECS Number:
-
[3-(1-isoquinolinylmethyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methanol
Molecular Formula:
C
19
H
20
N
2
O
Molecular Weight:
292.381 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-5,6,7,8-tetrahydroquinoline
Molecular Formula:
C
15
H
15
N
Molecular Weight:
209.291 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-oxo-3-phenylpropyl)cyclohexanone
Molecular Formula:
C
15
H
18
O
2
Molecular Weight:
230.307 g/mol
Cas Number:
-
EINECS Number:
-
3-iodo-1-benzothiophene
Molecular Formula:
C
8
H
5
IS
Molecular Weight:
260.098 g/mol
Cas Number:
36748-88-6
EINECS Number:
-
1-(2-hydroxyethyl)-2-pyrrolidinone
Molecular Formula:
C
6
H
11
NO
2
Molecular Weight:
129.159 g/mol
Cas Number:
3445-11-2
EINECS Number:
222-359-4
8-methoxyoctanal
Molecular Formula:
C
9
H
18
O
2
Molecular Weight:
158.241 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-2-piperidin-1-ylethanone
Molecular Formula:
C
13
H
17
NO
Molecular Weight:
203.284 g/mol
Cas Number:
779-52-2
EINECS Number:
-
2,5-dimethyl-1,3-thiazole
Molecular Formula:
C
5
H
7
NS
Molecular Weight:
113.183 g/mol
Cas Number:
4175-66-0
EINECS Number:
-
phenyl-thiazol-2-yl-methanone
Molecular Formula:
C
10
H
7
NOS
Molecular Weight:
189.238 g/mol
Cas Number:
-
EINECS Number:
-
phenanthridine
Molecular Formula:
C
13
H
9
N
Molecular Weight:
179.221 g/mol
Cas Number:
229-87-8
EINECS Number:
205-934-4
chlorobenzene
Molecular Formula:
C
6
H
5
Cl
Molecular Weight:
112.558 g/mol
Cas Number:
108-90-7
EINECS Number:
203-628-5
2-chloro-benzenecarbodithioic acid 2-dimethylaminoethyl ester
Molecular Formula:
C
11
H
14
ClNS
2
Molecular Weight:
259.824 g/mol
Cas Number:
-
EINECS Number:
-
5,5-diphenyl-1,3-oxazolidin-2-one
Molecular Formula:
C
15
H
13
NO
2
Molecular Weight:
239.274 g/mol
Cas Number:
52481-82-0
EINECS Number:
-
2-oxo-5,5-diphenyl-1,3-oxazolidine-3-carboxamide
Molecular Formula:
C
16
H
14
N
2
O
3
Molecular Weight:
282.299 g/mol
Cas Number:
-
EINECS Number:
-
6-amino-2-methyl-4-pyrimidinol
Molecular Formula:
C
5
H
7
N
3
O
Molecular Weight:
125.13 g/mol
Cas Number:
767-16-8
EINECS Number:
212-182-0
dimethyl 5-amino-6-methyl-3,4-pyridinedicarboxylate
Molecular Formula:
C
10
H
12
N
2
O
4
Molecular Weight:
224.216 g/mol
Cas Number:
-
EINECS Number:
-
1,3,5-trimethyl-2,4-dinitrobenzene
Molecular Formula:
C
9
H
10
N
2
O
4
Molecular Weight:
210.189 g/mol
Cas Number:
608-50-4
EINECS Number:
-
2-bromo-1,1,3,3-tetraethoxypropane
Molecular Formula:
C
11
H
23
BrO
4
Molecular Weight:
299.205 g/mol
Cas Number:
-
EINECS Number:
-
1,2,3,4,5,6,7,8-octahydro-4-azulenol
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
1,2,3,4,5,6-hexahydroazulene
Molecular Formula:
C
10
H
14
Molecular Weight:
134.221 g/mol
Cas Number:
-
EINECS Number:
-
4-(2-piperidin-2-yl-ethyl)-phenol
Molecular Formula:
C
13
H
19
NO
Molecular Weight:
205.3 g/mol
Cas Number:
408312-63-0
EINECS Number:
-
2,6-dimethyl-4H-pyran-4-one
Molecular Formula:
C
7
H
8
O
2
Molecular Weight:
124.139 g/mol
Cas Number:
1004-36-0
EINECS Number:
213-719-1
(4-chlorophenyl)(2-furyl)methanimine
Molecular Formula:
C
11
H
8
ClNO
Molecular Weight:
205.643 g/mol
Cas Number:
-
EINECS Number:
-
1
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