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Cas Number
EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 40
3-hydroxy-2-[2-oxo-1-(phenylsulfonyl)ethoxy]propanal
Molecular Formula:
C
11
H
12
O
6
S
Molecular Weight:
272.279 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2,3-anhydro-4,5-dideoxy-3-(2,3-dimethoxyphenyl)pentonate
Molecular Formula:
C
15
H
20
O
5
Molecular Weight:
280.321 g/mol
Cas Number:
-
EINECS Number:
-
2-(2,3-dimethoxyphenyl)butanal
Molecular Formula:
C
12
H
16
O
3
Molecular Weight:
208.257 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-thioxo-4-imidazolidinone
Molecular Formula:
C
4
H
6
N
2
OS
Molecular Weight:
130.171 g/mol
Cas Number:
694-68-8
EINECS Number:
-
5-methyl-4-nitro-2-thiophenecarboxylic acid
Molecular Formula:
C
6
H
5
NO
4
S
Molecular Weight:
187.176 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3,5-dinitrothiophene
Molecular Formula:
C
5
H
4
N
2
O
4
S
Molecular Weight:
188.164 g/mol
Cas Number:
78771-28-5
EINECS Number:
-
(2E)-3-cyclopropyl-1-phenyl-2-propen-1-one
Molecular Formula:
C
12
H
12
O
Molecular Weight:
172.227 g/mol
Cas Number:
-
EINECS Number:
-
cyclopropyl(2-nitro-3-phenylcyclopropyl)methanone
Molecular Formula:
C
13
H
13
NO
3
Molecular Weight:
231.251 g/mol
Cas Number:
-
EINECS Number:
-
3-cyclopropyl-5-phenyl-4,5-dihydro-1H-pyrazole
Molecular Formula:
C
12
H
14
N
2
Molecular Weight:
186.257 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-pyridinylmethyl)pyridine
Molecular Formula:
C
11
H
10
N
2
Molecular Weight:
170.214 g/mol
Cas Number:
1132-37-2
EINECS Number:
-
2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol
Molecular Formula:
C
6
H
5
N
3
O
2
S
Molecular Weight:
183.191 g/mol
Cas Number:
-
EINECS Number:
-
[1,3]thiazolo[5,4-d]pyrimidine-5,7-diol
Molecular Formula:
C
5
H
3
N
3
O
2
S
Molecular Weight:
169.164 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dinitro-1-(1-nitro-propylsulfanyl)-benzene
Molecular Formula:
C
9
H
9
N
3
O
6
S
Molecular Weight:
287.253 g/mol
Cas Number:
-
EINECS Number:
-
(2-methyl-3-thienyl)methanol
Molecular Formula:
C
6
H
8
OS
Molecular Weight:
128.195 g/mol
Cas Number:
-
EINECS Number:
-
4-(4-formylanilino)-4-oxobutanoic acid
Molecular Formula:
C
11
H
11
NO
4
Molecular Weight:
221.213 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-3-methyl-1,3-butadiene
Molecular Formula:
C
5
H
7
Cl
Molecular Weight:
102.563 g/mol
Cas Number:
-
EINECS Number:
-
2-thiophenecarbonyl chloride
Molecular Formula:
C
5
H
3
ClOS
Molecular Weight:
146.597 g/mol
Cas Number:
5271-67-0
EINECS Number:
226-092-4
piperidin-1-yl-thiophen-2-ylmethanone
Molecular Formula:
C
10
H
13
NOS
Molecular Weight:
195.285 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-thienylmethyl)piperidine
Molecular Formula:
C
10
H
15
NS
Molecular Weight:
181.302 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-1,1-diphenylethanol
Molecular Formula:
C
14
H
13
ClO
Molecular Weight:
232.709 g/mol
Cas Number:
950-17-4
EINECS Number:
-
2,3-dimethylthiophene
Molecular Formula:
C
6
H
8
S
Molecular Weight:
112.196 g/mol
Cas Number:
632-16-6
EINECS Number:
211-170-2
3,4-dihydro-1H-isochromen-6-ol
Molecular Formula:
C
9
H
10
O
2
Molecular Weight:
150.177 g/mol
Cas Number:
-
EINECS Number:
-
Hexafluoropropene
Molecular Formula:
C
3
F
6
Molecular Weight:
150.023 g/mol
Cas Number:
116-15-4
EINECS Number:
204-127-4
1,1,1,2,2,3,3-heptafluoropropane
Molecular Formula:
C
3
HF
7
Molecular Weight:
170.03 g/mol
Cas Number:
2252-84-8
EINECS Number:
-
octyl 4-hydroxy-3-methoxybenzenecarboximidoate
Molecular Formula:
C
16
H
25
NO
3
Molecular Weight:
279.379 g/mol
Cas Number:
-
EINECS Number:
-
octyl 4-hydroxy-3-methoxybenzoate
Molecular Formula:
C
16
H
24
O
4
Molecular Weight:
280.364 g/mol
Cas Number:
5438-62-0
EINECS Number:
-
dibutylphosphine oxide
Molecular Formula:
C
8
H
18
OP
Molecular Weight:
161.204 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dimethyl(2-methylphenyl)methanamine
Molecular Formula:
C
10
H
15
N
Molecular Weight:
149.236 g/mol
Cas Number:
-
EINECS Number:
-
3-(anilinocarbonyl)benzenesulfonyl chloride
Molecular Formula:
C
13
H
10
ClNO
3
S
Molecular Weight:
295.746 g/mol
Cas Number:
-
EINECS Number:
-
N-methyl-1H-indole-2-carboxamide
Molecular Formula:
C
10
H
10
N
2
O
Molecular Weight:
174.202 g/mol
Cas Number:
-
EINECS Number:
-
propylcyclohexane
Molecular Formula:
C
9
H
18
Molecular Weight:
126.242 g/mol
Cas Number:
1678-92-8
EINECS Number:
216-836-6
2,4,6-cyclooctatrien-1-one
Molecular Formula:
C
8
H
8
O
Molecular Weight:
120.151 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,4-dimethylphenoxy)-2-propanol
Molecular Formula:
C
11
H
16
O
2
Molecular Weight:
180.247 g/mol
Cas Number:
-
EINECS Number:
-
3-nitroso-5,5-diphenyl-1,3-oxazolidin-2-one
Molecular Formula:
C
15
H
12
N
2
O
3
Molecular Weight:
268.272 g/mol
Cas Number:
-
EINECS Number:
-
4,5-diphenyl-1,3-oxazolidin-2-one
Molecular Formula:
C
15
H
13
NO
2
Molecular Weight:
239.274 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-2-methylpropanal (2,4-dinitrophenyl)hydrazone
Molecular Formula:
C
10
H
12
N
4
O
4
Molecular Weight:
252.23 g/mol
Cas Number:
2057-82-1
EINECS Number:
-
1-butynylbenzene
Molecular Formula:
C
10
H
10
Molecular Weight:
130.189 g/mol
Cas Number:
622-76-4
EINECS Number:
210-752-3
(1-hydroxycyclopentyl)(phenyl)acetic acid
Molecular Formula:
C
13
H
16
O
3
Molecular Weight:
220.268 g/mol
Cas Number:
25209-52-3
EINECS Number:
-
(2E)-4,5,7-trimethyl-1-benzofuran-2,3-dione 2-oxime
Molecular Formula:
C
11
H
11
NO
3
Molecular Weight:
205.213 g/mol
Cas Number:
-
EINECS Number:
-
4,5,7-trimethyl-1-benzofuran-2,3-dione
Molecular Formula:
C
11
H
10
O
3
Molecular Weight:
190.199 g/mol
Cas Number:
-
EINECS Number:
-
4,6,7-trimethyl-1-benzofuran-2,3-dione
Molecular Formula:
C
11
H
10
O
3
Molecular Weight:
190.199 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3H-naphtho[1,2-d]imidazol-6-amine
Molecular Formula:
C
12
H
11
N
3
Molecular Weight:
197.24 g/mol
Cas Number:
-
EINECS Number:
-
isobutylbenzene
Molecular Formula:
C
10
H
14
Molecular Weight:
134.221 g/mol
Cas Number:
538-93-2
EINECS Number:
208-706-2
2-methyl-1-benzofuran
Molecular Formula:
C
9
H
8
O
Molecular Weight:
132.162 g/mol
Cas Number:
4265-25-2
EINECS Number:
224-249-1
2-(ethoxymethoxy)-3-methoxypropanenitrile
Molecular Formula:
C
7
H
13
NO
3
Molecular Weight:
159.185 g/mol
Cas Number:
-
EINECS Number:
-
2-(ethoxymethoxy)-3-methoxypropylamine
Molecular Formula:
C
7
H
17
NO
3
Molecular Weight:
163.217 g/mol
Cas Number:
-
EINECS Number:
-
1-amino-3-methoxy-2-propanol
Molecular Formula:
C
4
H
11
NO
2
Molecular Weight:
105.137 g/mol
Cas Number:
93372-65-7
EINECS Number:
-
1-(4-methyl-2-pyridinyl)-2,5-pyrrolidinedione
Molecular Formula:
C
10
H
10
N
2
O
2
Molecular Weight:
190.202 g/mol
Cas Number:
-
EINECS Number:
-
1,1-diiodoethane
Molecular Formula:
C
2
H
4
I
2
Molecular Weight:
281.863 g/mol
Cas Number:
594-02-5
EINECS Number:
-
trimethyl 1,4,7-heptanetricarboxylate
Molecular Formula:
C
13
H
22
O
6
Molecular Weight:
274.314 g/mol
Cas Number:
-
EINECS Number:
-
3-isothiocyanato-1-cyclohexene
Molecular Formula:
C
7
H
9
NS
Molecular Weight:
139.221 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-chlorophenyl)-3-phenyl-1-propanol
Molecular Formula:
C
15
H
15
ClO
Molecular Weight:
246.736 g/mol
Cas Number:
6948-70-5
EINECS Number:
-
cyano(phenyl)methyl benzenesulfonate
Molecular Formula:
C
14
H
11
NO
3
S
Molecular Weight:
273.312 g/mol
Cas Number:
22259-85-4
EINECS Number:
-
5-phenyl-1,3-thiazole-2,4-diamine
Molecular Formula:
C
9
H
9
N
3
S
Molecular Weight:
191.257 g/mol
Cas Number:
490-55-1
EINECS Number:
-
1-phenyl-1-quinolin-2-ylethanol
Molecular Formula:
C
17
H
15
NO
Molecular Weight:
249.312 g/mol
Cas Number:
-
EINECS Number:
-
2-acetamido-4-methylsulfanylbutanoic acid
Molecular Formula:
C
7
H
13
NO
3
S
Molecular Weight:
191.251 g/mol
Cas Number:
1115-47-5
EINECS Number:
214-224-3
N,N-dimethyl-4-pyridin-2-yldiazenylaniline
Molecular Formula:
C
13
H
14
N
4
Molecular Weight:
226.281 g/mol
Cas Number:
13103-75-8
EINECS Number:
236-026-6
1,2-cyclohexanedione
Molecular Formula:
C
6
H
8
O
2
Molecular Weight:
112.128 g/mol
Cas Number:
765-87-7
EINECS Number:
212-155-3
5-bromo-5-nitro-4-phenyl-4,5-dihydro-1H-pyrazole
Molecular Formula:
C
9
H
8
BrN
3
O
2
Molecular Weight:
270.086 g/mol
Cas Number:
-
EINECS Number:
-
beta-bromo-beta-nitrostyrene
Molecular Formula:
C
8
H
6
BrNO
2
Molecular Weight:
228.045 g/mol
Cas Number:
7166-19-0
EINECS Number:
-
Pyridoxal Phosphate
Molecular Formula:
C
8
H
10
NO
6
P
Molecular Weight:
247.144 g/mol
Cas Number:
54-47-7
EINECS Number:
200-208-3
5-hydroxy-2,4,4-trimethyl-3-octanone
Molecular Formula:
C
11
H
22
O
2
Molecular Weight:
186.294 g/mol
Cas Number:
-
EINECS Number:
-
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxylic acid
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
2-(1,3-benzothiazol-2-ylsulfanyl)-1,4-benzenediol
Molecular Formula:
C
13
H
9
NO
2
S
2
Molecular Weight:
275.352 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl (2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetate
Molecular Formula:
C
15
H
17
NO
5
Molecular Weight:
291.304 g/mol
Cas Number:
-
EINECS Number:
-
(2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetic acid
Molecular Formula:
C
11
H
9
NO
5
Molecular Weight:
235.196 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-anilino-2-oxoethyl)-2-phenylacetamide
Molecular Formula:
C
16
H
16
N
2
O
2
Molecular Weight:
268.315 g/mol
Cas Number:
-
EINECS Number:
-
N-butyl-N-(2-ethoxy-2-phenylethyl)-1-butanamine
Molecular Formula:
C
18
H
31
NO
Molecular Weight:
277.45 g/mol
Cas Number:
-
EINECS Number:
-
phenylacetic anhydride
Molecular Formula:
C
16
H
14
O
3
Molecular Weight:
254.285 g/mol
Cas Number:
1555-80-2
EINECS Number:
-
1-styryl-but-3-enylidene-amine
Molecular Formula:
C
12
H
13
N
Molecular Weight:
171.242 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dihydro-2-quinoxalinamine
Molecular Formula:
C
8
H
9
N
3
Molecular Weight:
147.18 g/mol
Cas Number:
-
EINECS Number:
-
2-quinoxalinamine
Molecular Formula:
C
8
H
7
N
3
Molecular Weight:
145.164 g/mol
Cas Number:
5424-05-5
EINECS Number:
-
benzo[a]phenazine 7,12-dioxide
Molecular Formula:
C
16
H
10
N
2
O
2
Molecular Weight:
262.268 g/mol
Cas Number:
18636-88-9
EINECS Number:
-
benzo[a]phenazine 7-oxide
Molecular Formula:
C
16
H
10
N
2
O
Molecular Weight:
246.268 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-3-phenylpropanoic acid
Molecular Formula:
C
9
H
10
O
3
Molecular Weight:
166.177 g/mol
Cas Number:
828-01-3
EINECS Number:
212-580-4
butyl ethyl hydrogen phosphite
Molecular Formula:
C
6
H
15
O
3
P
Molecular Weight:
166.157 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dimethoxy-2-methylsulfanylpropane
Molecular Formula:
C
6
H
14
O
2
S
Molecular Weight:
150.242 g/mol
Cas Number:
-
EINECS Number:
-
7,8-dihydropentahelicene
Molecular Formula:
C
22
H
16
Molecular Weight:
280.369 g/mol
Cas Number:
-
EINECS Number:
-
6-chloro-8-(3-chlorophenyl)-9H-purin-2-amine
Molecular Formula:
C
11
H
7
Cl
2
N
5
Molecular Weight:
280.116 g/mol
Cas Number:
-
EINECS Number:
-
N-(5-acetyl-2-methyl-3-thienyl)acetamide
Molecular Formula:
C
9
H
11
NO
2
S
Molecular Weight:
197.258 g/mol
Cas Number:
-
EINECS Number:
-
2-benzyltetrahydrothiophene
Molecular Formula:
C
11
H
14
S
Molecular Weight:
178.298 g/mol
Cas Number:
-
EINECS Number:
-
3-acetyl-5-ethoxycarbonyl-2-methylpyridine-4-carboxylic acid
Molecular Formula:
C
12
H
13
NO
5
Molecular Weight:
251.239 g/mol
Cas Number:
-
EINECS Number:
-
5-oxo-5-phenylpentanoic acid
Molecular Formula:
C
11
H
12
O
3
Molecular Weight:
192.214 g/mol
Cas Number:
1501-05-9
EINECS Number:
216-113-5
2-(4-bromophenyl)-2-oxoethyl propionate
Molecular Formula:
C
11
H
11
BrO
3
Molecular Weight:
271.111 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dichloro-2-propanol
Molecular Formula:
C
3
H
6
Cl
2
O
Molecular Weight:
128.985 g/mol
Cas Number:
96-23-1
EINECS Number:
202-491-9
2-bromo-4,4,4-trichloro-1,1,1-trifluorobutane
Molecular Formula:
C
4
H
3
BrCl
3
F
3
Molecular Weight:
294.325 g/mol
Cas Number:
-
EINECS Number:
-
5-amino-6-methyl-2,3,4-pyridinetricarboxylic acid
Molecular Formula:
C
9
H
8
N
2
O
6
Molecular Weight:
240.172 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-pyridinecarboxylate
Molecular Formula:
C
7
H
7
NO
2
Molecular Weight:
137.138 g/mol
Cas Number:
2459-07-6
EINECS Number:
219-545-2
3-(1,3-dimethylbutyl)-4,5,5-trimethyl-2-propyl-1,3-oxazolidine
Molecular Formula:
C
15
H
31
NO
Molecular Weight:
241.417 g/mol
Cas Number:
-
EINECS Number:
-
isopropylsulfamic acid
Molecular Formula:
C
3
H
9
NO
3
S
Molecular Weight:
139.175 g/mol
Cas Number:
42065-76-9
EINECS Number:
-
4-methylquinazoline
Molecular Formula:
C
9
H
8
N
2
Molecular Weight:
144.176 g/mol
Cas Number:
700-46-9
EINECS Number:
-
2-methyl-3H-quinazolin-4-one
Molecular Formula:
C
9
H
8
N
2
O
Molecular Weight:
160.175 g/mol
Cas Number:
1769-24-0
EINECS Number:
217-189-2
N,N-dimethyl-2-(2-methyl-4-quinazolinyl)ethanamine
Molecular Formula:
C
13
H
17
N
3
Molecular Weight:
215.298 g/mol
Cas Number:
-
EINECS Number:
-
di[1,3]thiazolo[4,5-b:5,4-e]pyridine-2,6-diamine
Molecular Formula:
C
7
H
5
N
5
S
2
Molecular Weight:
223.282 g/mol
Cas Number:
-
EINECS Number:
-
benzhydrylbenzene
Molecular Formula:
C
19
H
16
Molecular Weight:
244.336 g/mol
Cas Number:
519-73-3
EINECS Number:
208-275-0
Acetaldehyde-2,4-dinitrophenylhydrazone
Molecular Formula:
C
8
H
8
N
4
O
4
Molecular Weight:
224.176 g/mol
Cas Number:
1019-57-4
EINECS Number:
-
S-(4-chlorophenyl) thiocarbamate
Molecular Formula:
C
7
H
6
ClNOS
Molecular Weight:
187.649 g/mol
Cas Number:
-
EINECS Number:
-
6,8-dichloro-2-quinolinol
Molecular Formula:
C
9
H
5
Cl
2
NO
Molecular Weight:
214.05 g/mol
Cas Number:
-
EINECS Number:
-
3-acetoxy-propionic acid
Molecular Formula:
C
5
H
8
O
4
Molecular Weight:
132.116 g/mol
Cas Number:
-
EINECS Number:
-
3-iodopropanoic acid
Molecular Formula:
C
3
H
5
IO
2
Molecular Weight:
199.976 g/mol
Cas Number:
141-76-4
EINECS Number:
205-499-0
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