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EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 47
2-nicotinoylbutyric acid tert-butyl ester
Molecular Formula:
C
14
H
19
NO
3
Molecular Weight:
249.31 g/mol
Cas Number:
-
EINECS Number:
-
1-pyridin-3-yl-butan-1-one
Molecular Formula:
C
9
H
11
NO
Molecular Weight:
149.192 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-(3-hydroxypropyl)-3,4-furandicarboxylate
Molecular Formula:
C
13
H
18
O
6
Molecular Weight:
270.282 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-hydroxyethyl)-4-quinolinecarboxamide
Molecular Formula:
C
12
H
12
N
2
O
2
Molecular Weight:
216.24 g/mol
Cas Number:
-
EINECS Number:
-
N-(phthalimidomethyl)acetamide
Molecular Formula:
C
11
H
10
N
2
O
3
Molecular Weight:
218.212 g/mol
Cas Number:
-
EINECS Number:
-
9-phenanthrenecarbonyl azide
Molecular Formula:
C
15
H
9
N
3
O
Molecular Weight:
247.256 g/mol
Cas Number:
-
EINECS Number:
-
9-Cyanophenanthrene
Molecular Formula:
C
15
H
9
N
Molecular Weight:
203.243 g/mol
Cas Number:
2510-55-6
EINECS Number:
219-725-0
2-acetoxy-hexanoic acid methyl ester
Molecular Formula:
C
9
H
16
O
4
Molecular Weight:
188.224 g/mol
Cas Number:
77118-93-5
EINECS Number:
-
methyl (2E)-2-hexenoate
Molecular Formula:
C
7
H
12
O
2
Molecular Weight:
128.171 g/mol
Cas Number:
2396-77-2
EINECS Number:
237-663-2
2-methyl[1,3]oxazolo[4,5-c]quinoline
Molecular Formula:
C
11
H
8
N
2
O
Molecular Weight:
184.197 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-3-quinolinylcyanamide
Molecular Formula:
C
10
H
7
N
3
O
Molecular Weight:
185.185 g/mol
Cas Number:
-
EINECS Number:
-
[1,3]thiazolo[4,5-c]quinolin-2-amine
Molecular Formula:
C
10
H
7
N
3
S
Molecular Weight:
201.252 g/mol
Cas Number:
143667-61-2
EINECS Number:
-
2-nitroacetaldoxime
Molecular Formula:
C
2
H
4
N
2
O
3
Molecular Weight:
104.065 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-nitro-ethylideneamino)-benzoic acid
Molecular Formula:
C
9
H
8
N
2
O
4
Molecular Weight:
208.174 g/mol
Cas Number:
121845-92-9
EINECS Number:
-
3-nitro-4-quinolinol
Molecular Formula:
C
9
H
6
N
2
O
3
Molecular Weight:
190.158 g/mol
Cas Number:
50332-66-6
EINECS Number:
-
7-nitro-1H-indole-2,3-dione
Molecular Formula:
C
8
H
4
N
2
O
4
Molecular Weight:
192.131 g/mol
Cas Number:
-
EINECS Number:
-
1-chloro-2-(2-chlorobenzyl)benzene
Molecular Formula:
C
13
H
10
Cl
2
Molecular Weight:
237.128 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dimethylbenzo[g]quinoline
Molecular Formula:
C
15
H
13
N
Molecular Weight:
207.275 g/mol
Cas Number:
-
EINECS Number:
-
3-piperidin-2-yl-propan-1-ol
Molecular Formula:
C
8
H
17
NO
Molecular Weight:
143.229 g/mol
Cas Number:
24448-89-3
EINECS Number:
-
2-methoxy-2-methyltetrahydrofuran
Molecular Formula:
C
6
H
12
O
2
Molecular Weight:
116.16 g/mol
Cas Number:
-
EINECS Number:
-
7a-methylhexahydro-1H-pyrrolizine
Molecular Formula:
C
8
H
15
N
Molecular Weight:
125.214 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-4-quinolinamine
Molecular Formula:
C
9
H
7
ClN
2
Molecular Weight:
178.621 g/mol
Cas Number:
1198-40-9
EINECS Number:
-
4-hydrazino-7-phenoxyquinoline
Molecular Formula:
C
15
H
13
N
3
O
Molecular Weight:
251.288 g/mol
Cas Number:
-
EINECS Number:
-
7-phenoxyquinoline
Molecular Formula:
C
15
H
11
NO
Molecular Weight:
221.258 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dihydroxyphenyl imidothiocarbamate
Molecular Formula:
C
7
H
8
N
2
O
2
S
Molecular Weight:
184.219 g/mol
Cas Number:
6274-93-7
EINECS Number:
-
ethyl 4,6,7-trimethyl-3-oxo-3,4-dihydro-2-quinoxalinecarboxylate
Molecular Formula:
C
14
H
16
N
2
O
3
Molecular Weight:
260.293 g/mol
Cas Number:
-
EINECS Number:
-
1,2,3,4-tetrahydroquinoxaline
Molecular Formula:
C
8
H
10
N
2
Molecular Weight:
134.181 g/mol
Cas Number:
3476-89-9
EINECS Number:
-
1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline
Molecular Formula:
C
14
H
14
N
2
O
2
S
Molecular Weight:
274.343 g/mol
Cas Number:
6344-73-6
EINECS Number:
-
Quinoxaline
Molecular Formula:
C
8
H
6
N
2
Molecular Weight:
130.149 g/mol
Cas Number:
91-19-0
EINECS Number:
202-047-4
1-chloro-4-vinylbenzene
Molecular Formula:
C
8
H
7
Cl
Molecular Weight:
138.596 g/mol
Cas Number:
1073-67-2
EINECS Number:
214-028-8
ethyl (2Z)-2-(hydroxyimino)hexanoate
Molecular Formula:
C
8
H
15
NO
3
Molecular Weight:
173.212 g/mol
Cas Number:
-
EINECS Number:
-
N-[5-(4-nitrophenyl)diazenylthiophen-2-yl]acetamide
Molecular Formula:
C
12
H
10
N
4
O
3
S
Molecular Weight:
290.303 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-allyl-2-(cyclobutylmethyl)malonate
Molecular Formula:
C
15
H
24
O
4
Molecular Weight:
268.353 g/mol
Cas Number:
-
EINECS Number:
-
3-(4-methylphenyl)-3-oxopropanenitrile
Molecular Formula:
C
10
H
9
NO
Molecular Weight:
159.188 g/mol
Cas Number:
7391-28-8
EINECS Number:
-
butyl 2,2-dibutylhexanoate
Molecular Formula:
C
18
H
36
O
2
Molecular Weight:
284.483 g/mol
Cas Number:
-
EINECS Number:
-
1-bromo-3,3,3-trichloropropyl acetate
Molecular Formula:
C
5
H
6
BrCl
3
O
2
Molecular Weight:
284.364 g/mol
Cas Number:
-
EINECS Number:
-
3-cyclohexyl-N-methyl-2-butanamine
Molecular Formula:
C
11
H
23
N
Molecular Weight:
169.31 g/mol
Cas Number:
-
EINECS Number:
-
(5,7-dimethyl-1,8-naphthyridin-2-yl)amine
Molecular Formula:
C
10
H
11
N
3
Molecular Weight:
173.218 g/mol
Cas Number:
39565-07-6
EINECS Number:
-
2,3-diphenyl-1H-pyrrolo[2,3-b]pyridin-6-ylamine
Molecular Formula:
C
19
H
15
N
3
Molecular Weight:
285.348 g/mol
Cas Number:
55463-74-6
EINECS Number:
-
4-ethoxybenzenesulfonyl chloride
Molecular Formula:
C
8
H
9
ClO
3
S
Molecular Weight:
220.676 g/mol
Cas Number:
1132-17-8
EINECS Number:
-
1-chloro-1-methyl-2-nitrosocyclopentane
Molecular Formula:
C
6
H
10
ClNO
Molecular Weight:
147.604 g/mol
Cas Number:
-
EINECS Number:
-
1-benzylnaphthalene
Molecular Formula:
C
17
H
14
Molecular Weight:
218.298 g/mol
Cas Number:
611-45-0
EINECS Number:
-
6-dimethylamino-hexan-2-one
Molecular Formula:
C
8
H
17
NO
Molecular Weight:
143.229 g/mol
Cas Number:
-
EINECS Number:
-
5-bromo-N-isopropyl-1-hexanamine
Molecular Formula:
C
9
H
20
BrN
Molecular Weight:
222.169 g/mol
Cas Number:
-
EINECS Number:
-
N-(thiophen-2-yl-methyl)-hydroxylamine
Molecular Formula:
C
5
H
7
NOS
Molecular Weight:
129.183 g/mol
Cas Number:
73941-31-8
EINECS Number:
-
(2E)-2-(isopropoxymethylene)octahydro-1(2H)-naphthalenone
Molecular Formula:
C
14
H
22
O
2
Molecular Weight:
222.327 g/mol
Cas Number:
-
EINECS Number:
-
8a-methyl-2,3,4,4a,5,6,7,8-octahydro-naphthalen-1-one
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
-
EINECS Number:
-
Orotic acid
Molecular Formula:
C
5
H
4
N
2
O
4
Molecular Weight:
156.098 g/mol
Cas Number:
65-86-1
EINECS Number:
200-619-8
(2,5-dioxo-4-imidazolidinyl)acetic acid
Molecular Formula:
C
5
H
6
N
2
O
4
Molecular Weight:
158.114 g/mol
Cas Number:
5427-26-9
EINECS Number:
226-574-4
acenaphthylene
Molecular Formula:
C
12
H
8
Molecular Weight:
152.196 g/mol
Cas Number:
208-96-8
EINECS Number:
205-917-1
2-aminoethanesulfonamide
Molecular Formula:
C
2
H
8
N
2
O
2
S
Molecular Weight:
124.164 g/mol
Cas Number:
4378-70-5
EINECS Number:
-
3-phenyl-5,6-dihydro-2H-1,2,4-thiadiazine 1,1-dioxide
Molecular Formula:
C
9
H
10
N
2
O
2
S
Molecular Weight:
210.257 g/mol
Cas Number:
-
EINECS Number:
-
4-imino-3-piperidinecarbonitrile
Molecular Formula:
C
6
H
9
N
3
Molecular Weight:
123.158 g/mol
Cas Number:
20373-91-5
EINECS Number:
-
4-oxo-3-piperidinecarbonitrile
Molecular Formula:
C
6
H
8
N
2
O
Molecular Weight:
124.142 g/mol
Cas Number:
19166-75-7
EINECS Number:
-
1-nitro-2-(2-thiocyanatocyclohexyl)sulfanylbenzene
Molecular Formula:
C
13
H
14
N
2
O
2
S
2
Molecular Weight:
294.398 g/mol
Cas Number:
-
EINECS Number:
-
2,5-diphenethyl-1,4-dihydro-pyrazine
Molecular Formula:
C
20
H
22
N
2
Molecular Weight:
290.408 g/mol
Cas Number:
-
EINECS Number:
-
(Z)-4-(carboxymethylamino)-4-oxobut-2-enoic acid
Molecular Formula:
C
6
H
7
NO
5
Molecular Weight:
173.125 g/mol
Cas Number:
-
EINECS Number:
-
2-succinimidoacetic acid methyl ester
Molecular Formula:
C
7
H
9
NO
4
Molecular Weight:
171.153 g/mol
Cas Number:
-
EINECS Number:
-
2-ethylsulfinylsulfanyl-2-methylpropane
Molecular Formula:
C
6
H
14
OS
2
Molecular Weight:
166.309 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyldisulfanyl-2-methylpropane
Molecular Formula:
C
6
H
14
S
2
Molecular Weight:
150.309 g/mol
Cas Number:
102107-90-4
EINECS Number:
-
2-(dimethylamino)-1-methyl-2-oxoethyl acetate
Molecular Formula:
C
7
H
13
NO
3
Molecular Weight:
159.185 g/mol
Cas Number:
6280-18-8
EINECS Number:
-
2-hydroxy-N,N-dimethylpropanamide
Molecular Formula:
C
5
H
11
NO
2
Molecular Weight:
117.148 g/mol
Cas Number:
35123-06-9
EINECS Number:
-
N,N-dimethylacrylamide
Molecular Formula:
C
5
H
9
NO
Molecular Weight:
99.133 g/mol
Cas Number:
2680-03-7
EINECS Number:
220-237-5
6-isoquinolinyl methyl ether
Molecular Formula:
C
10
H
9
NO
Molecular Weight:
159.188 g/mol
Cas Number:
52986-70-6
EINECS Number:
-
4-isoquinolinol
Molecular Formula:
C
9
H
7
NO
Molecular Weight:
145.161 g/mol
Cas Number:
3336-49-0
EINECS Number:
-
5-(2,5-dimethyl-1H-pyrrol-1-yl)isoquinoline
Molecular Formula:
C
15
H
14
N
2
Molecular Weight:
222.29 g/mol
Cas Number:
-
EINECS Number:
-
1,4-pentanediol
Molecular Formula:
C
5
H
12
O
2
Molecular Weight:
104.149 g/mol
Cas Number:
626-95-9
EINECS Number:
210-973-5
3,4-dimethoxy-9-phenanthrenecarbaldehyde
Molecular Formula:
C
17
H
14
O
3
Molecular Weight:
266.296 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-1,3-dioxane
Molecular Formula:
C
5
H
10
O
2
Molecular Weight:
102.133 g/mol
Cas Number:
1120-97-4
EINECS Number:
214-323-1
N-phenylcyclohexanecarboxamide
Molecular Formula:
C
13
H
17
NO
Molecular Weight:
203.284 g/mol
Cas Number:
2719-26-8
EINECS Number:
-
1-benzothiophene
Molecular Formula:
C
8
H
6
S
Molecular Weight:
134.202 g/mol
Cas Number:
95-15-8
EINECS Number:
202-395-7
3-(2,5-dioxo-4-phenyl-4-imidazolidinyl)benzoic acid
Molecular Formula:
C
16
H
12
N
2
O
4
Molecular Weight:
296.282 g/mol
Cas Number:
-
EINECS Number:
-
diethyl phenylphosphonate
Molecular Formula:
C
10
H
15
O
3
P
Molecular Weight:
214.201 g/mol
Cas Number:
1754-49-0
EINECS Number:
-
4-bromo-1-fluoro-2-(trifluoromethyl)benzene
Molecular Formula:
C
7
H
3
BrF
4
Molecular Weight:
243 g/mol
Cas Number:
393-37-3
EINECS Number:
-
4-diethylamino-2-phenylbutanenitrile
Molecular Formula:
C
14
H
20
N
2
Molecular Weight:
216.326 g/mol
Cas Number:
5463-30-9
EINECS Number:
-
2,3-dimethoxy-6-[(E)-(phenylimino)methyl]benzoic acid
Molecular Formula:
C
16
H
15
NO
4
Molecular Weight:
285.299 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,4-dimethoxyphenyl)-N-phenylmethanimine
Molecular Formula:
C
15
H
15
NO
2
Molecular Weight:
241.29 g/mol
Cas Number:
27895-67-6
EINECS Number:
-
3,4-dimethoxybenzaldehyde
Molecular Formula:
C
9
H
10
O
3
Molecular Weight:
166.177 g/mol
Cas Number:
120-14-9
EINECS Number:
204-373-2
2,6,6-trimethyl-1-cyclohexene-1-carbaldehyde
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
432-25-7
EINECS Number:
207-081-3
2-aminoethylphosphonic acid
Molecular Formula:
C
2
H
8
NO
3
P
Molecular Weight:
125.064 g/mol
Cas Number:
2041-14-7
EINECS Number:
218-043-0
5-cyclohexyl-1,3,5-triazinane-2-thione
Molecular Formula:
C
9
H
17
N
3
S
Molecular Weight:
199.32 g/mol
Cas Number:
-
EINECS Number:
-
3-pyridinyl anhydride
Molecular Formula:
C
12
H
8
N
2
O
3
Molecular Weight:
228.207 g/mol
Cas Number:
16837-38-0
EINECS Number:
-
ethyl 2-(diethoxymethyl)pentanoate
Molecular Formula:
C
12
H
24
O
4
Molecular Weight:
232.32 g/mol
Cas Number:
-
EINECS Number:
-
N-pyridin-2-yl-thiophene-2-carboxamide
Molecular Formula:
C
10
H
8
N
2
OS
Molecular Weight:
204.252 g/mol
Cas Number:
-
EINECS Number:
-
3-bromo-1,2-benzenediol
Molecular Formula:
C
6
H
5
BrO
2
Molecular Weight:
189.008 g/mol
Cas Number:
14381-51-2
EINECS Number:
-
dibutyl 2-thienylmethylphosphonate
Molecular Formula:
C
13
H
23
O
3
PS
Molecular Weight:
290.364 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-5-methyl-3-phenylpyrrolidine
Molecular Formula:
C
13
H
19
N
Molecular Weight:
189.301 g/mol
Cas Number:
-
EINECS Number:
-
4,4-dimethyl-2,3-dihydro-naphthalen-1-one
Molecular Formula:
C
12
H
14
O
Molecular Weight:
174.243 g/mol
Cas Number:
2979-69-3
EINECS Number:
-
diphenylacetic acid
Molecular Formula:
C
14
H
12
O
2
Molecular Weight:
212.248 g/mol
Cas Number:
117-34-0
EINECS Number:
204-185-0
2-bromo-2,3-dihydro-1H-benzo[f]chromen-1-one
Molecular Formula:
C
13
H
9
BrO
2
Molecular Weight:
277.117 g/mol
Cas Number:
-
EINECS Number:
-
1-oxo-2,3-dihydro-1H-benzo[f]chromen-2-yl thiocyanate
Molecular Formula:
C
14
H
9
NO
2
S
Molecular Weight:
255.297 g/mol
Cas Number:
-
EINECS Number:
-
Splitomicin
Molecular Formula:
C
13
H
10
O
2
Molecular Weight:
198.221 g/mol
Cas Number:
5690-03-9
EINECS Number:
-
1-nitro-2-(trifluoromethyl)benzene
Molecular Formula:
C
7
H
4
F
3
NO
2
Molecular Weight:
191.11 g/mol
Cas Number:
384-22-5
EINECS Number:
206-855-8
13-ethoxy-13-oxotridecanoic acid
Molecular Formula:
C
15
H
28
O
4
Molecular Weight:
272.385 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-hexyl-3-oxosuccinate
Molecular Formula:
C
14
H
24
O
5
Molecular Weight:
272.342 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-hexylmalonate
Molecular Formula:
C
13
H
24
O
4
Molecular Weight:
244.331 g/mol
Cas Number:
5398-10-7
EINECS Number:
-
3-methoxy-3-phenylpropanoyl chloride
Molecular Formula:
C
10
H
11
ClO
2
Molecular Weight:
198.649 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-phenyl-1,2-dihydro-4H-3,1-benzoxazin-4-one
Molecular Formula:
C
15
H
13
NO
2
Molecular Weight:
239.274 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-4H-1,3-benzodioxin-4-one
Molecular Formula:
C
14
H
10
O
3
Molecular Weight:
226.232 g/mol
Cas Number:
-
EINECS Number:
-
2-methylpyrazino[1,2-a]indol-1(2H)-one
Molecular Formula:
C
12
H
10
N
2
O
Molecular Weight:
198.224 g/mol
Cas Number:
-
EINECS Number:
-
1
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