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emSynthesis
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emical database
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Chemical Name
Cas Number
EINECS Number
MDL Number
Molecular Formula
InChIKey
Smiles
Journal Title
GO
Journal of the American Chemical Society
Cyclohexyl bromide
Molecular Formula:
C
6
H
11
Br
Molecular Weight:
163.057 g/mol
Cas Number:
108-85-0
EINECS Number:
203-622-2
9,10-dihydrophenanthrene
Molecular Formula:
C
14
H
12
Molecular Weight:
180.249 g/mol
Cas Number:
776-35-2
EINECS Number:
212-278-2
2-phenyl-1H-benzimidazole
Molecular Formula:
C
13
H
10
N
2
Molecular Weight:
194.236 g/mol
Cas Number:
716-79-0
EINECS Number:
211-939-2
2,5-hexanedione
Molecular Formula:
C
6
H
10
O
2
Molecular Weight:
114.144 g/mol
Cas Number:
110-13-4
EINECS Number:
203-738-3
8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-quinone
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
20007-72-1
EINECS Number:
243-463-6
3-hydroxy-1-phenyl-1-propanone
Molecular Formula:
C
9
H
10
O
2
Molecular Weight:
150.177 g/mol
Cas Number:
1321-48-8
EINECS Number:
-
2-heptanone
Molecular Formula:
C
7
H
14
O
Molecular Weight:
114.188 g/mol
Cas Number:
110-43-0
EINECS Number:
203-767-1
p-Nitrophenetole
Molecular Formula:
C
8
H
9
NO
3
Molecular Weight:
167.164 g/mol
Cas Number:
100-29-8
EINECS Number:
202-837-9
3-phenyl-2-cyclobuten-1-one
Molecular Formula:
C
10
H
8
O
Molecular Weight:
144.173 g/mol
Cas Number:
38425-47-7
EINECS Number:
-
3-methyl-2-pentyl-2-cyclopenten-1-one
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
1128-08-1
EINECS Number:
214-434-5
2-phenyl-ethynyl-benzene
Molecular Formula:
C
14
H
10
Molecular Weight:
178.233 g/mol
Cas Number:
501-65-5
EINECS Number:
207-926-6
2-acetonyl-3-hydroxy-1,4-naphthoquinone
Molecular Formula:
C
13
H
10
O
4
Molecular Weight:
230.22 g/mol
Cas Number:
-
EINECS Number:
-
Methyl heptanoate
Molecular Formula:
C
8
H
16
O
2
Molecular Weight:
144.214 g/mol
Cas Number:
106-73-0
EINECS Number:
203-428-8
delta-Valerolactone
Molecular Formula:
C
5
H
8
O
2
Molecular Weight:
100.117 g/mol
Cas Number:
542-28-9
EINECS Number:
208-807-1
hexahydro-1H-pyrrolizine
Molecular Formula:
C
7
H
13
N
Molecular Weight:
111.187 g/mol
Cas Number:
643-20-9
EINECS Number:
-
1,2-oxathiane 2,2-dioxide
Molecular Formula:
C
4
H
8
O
3
S
Molecular Weight:
136.172 g/mol
Cas Number:
1633-83-6
EINECS Number:
216-647-9
1H-inden-3-yl methyl ether
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
-
EINECS Number:
-
Cycloheptanone
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
502-42-1
EINECS Number:
207-937-6
2-thienylacetic acid
Molecular Formula:
C
6
H
6
O
2
S
Molecular Weight:
142.178 g/mol
Cas Number:
1918-77-0
EINECS Number:
217-639-8
10,11-dihydrodibenzo[b,f]oxepin-10-ol
Molecular Formula:
C
14
H
12
O
2
Molecular Weight:
212.248 g/mol
Cas Number:
-
EINECS Number:
-
1,5-diphenyl-1H-1,2,4-triazole-3-carboxylic acid
Molecular Formula:
C
15
H
11
N
3
O
2
Molecular Weight:
265.271 g/mol
Cas Number:
24058-92-2
EINECS Number:
-
ethylphosphonothioic dichloride
Molecular Formula:
C
2
H
5
Cl
2
PS
Molecular Weight:
163.007 g/mol
Cas Number:
993-43-1
EINECS Number:
-
methoxybenzene
Molecular Formula:
C
7
H
8
O
Molecular Weight:
108.14 g/mol
Cas Number:
100-66-3
EINECS Number:
202-876-1
cyclohexylcyanamide
Molecular Formula:
C
7
H
12
N
2
Molecular Weight:
124.186 g/mol
Cas Number:
-
EINECS Number:
-
1H-indol-3-ylacetonitrile
Molecular Formula:
C
10
H
8
N
2
Molecular Weight:
156.187 g/mol
Cas Number:
771-51-7
EINECS Number:
212-232-1
5H-phenanthridin-6-one
Molecular Formula:
C
13
H
9
NO
Molecular Weight:
195.221 g/mol
Cas Number:
1015-89-0
EINECS Number:
213-804-3
diphenylmethanol
Molecular Formula:
C
13
H
12
O
Molecular Weight:
184.238 g/mol
Cas Number:
91-01-0
EINECS Number:
202-033-8
methyl phenylacetate
Molecular Formula:
C
9
H
10
O
2
Molecular Weight:
150.177 g/mol
Cas Number:
101-41-7
EINECS Number:
202-940-9
1H-inden-1-one
Molecular Formula:
C
9
H
6
O
Molecular Weight:
130.146 g/mol
Cas Number:
768-22-9
EINECS Number:
-
4-nitrobenzoic acid
Molecular Formula:
C
7
H
5
NO
4
Molecular Weight:
167.121 g/mol
Cas Number:
62-23-7
EINECS Number:
200-526-2
N-butylacetamide
Molecular Formula:
C
6
H
13
NO
Molecular Weight:
115.175 g/mol
Cas Number:
1119-49-9
EINECS Number:
214-280-9
cyclohexyl formate
Molecular Formula:
C
7
H
12
O
2
Molecular Weight:
128.171 g/mol
Cas Number:
4351-54-6
EINECS Number:
-
3-acetyl-2-phenoxy-1,3-oxazolidine
Molecular Formula:
C
11
H
13
NO
3
Molecular Weight:
207.229 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
Molecular Formula:
C
9
H
13
NO
2
Molecular Weight:
167.208 g/mol
Cas Number:
2199-44-2
EINECS Number:
-
p-Cresol
Molecular Formula:
C
7
H
8
O
Molecular Weight:
108.14 g/mol
Cas Number:
106-44-5
EINECS Number:
203-398-6
4-phenyl-1-butanol
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
3360-41-6
EINECS Number:
222-128-8
1-(phenylsulfonyl)-5-hexen-2-one
Molecular Formula:
C
12
H
14
O
3
S
Molecular Weight:
238.307 g/mol
Cas Number:
-
EINECS Number:
-
N-(2,6-dimethylphenyl)acetamide
Molecular Formula:
C
10
H
13
NO
Molecular Weight:
163.219 g/mol
Cas Number:
2198-53-0
EINECS Number:
218-596-8
Benzocaine
Molecular Formula:
C
9
H
11
NO
2
Molecular Weight:
165.192 g/mol
Cas Number:
94-09-7
EINECS Number:
202-303-5
1,4-diphenyl-1,4-butanedione
Molecular Formula:
C
16
H
14
O
2
Molecular Weight:
238.286 g/mol
Cas Number:
495-71-6
EINECS Number:
-
spiro[4.5]decane-1,4-dione
Molecular Formula:
C
10
H
14
O
2
Molecular Weight:
166.22 g/mol
Cas Number:
-
EINECS Number:
-
Tyrosine
Molecular Formula:
C
9
H
11
NO
3
Molecular Weight:
181.191 g/mol
Cas Number:
556-03-6
EINECS Number:
209-113-1
o-cresol
Molecular Formula:
C
7
H
8
O
Molecular Weight:
108.14 g/mol
Cas Number:
95-48-7
EINECS Number:
202-423-8
2-phenylquinoline
Molecular Formula:
C
15
H
11
N
Molecular Weight:
205.259 g/mol
Cas Number:
612-96-4
EINECS Number:
210-326-7
2-methylindoline
Molecular Formula:
C
9
H
11
N
Molecular Weight:
133.193 g/mol
Cas Number:
6872-06-6
EINECS Number:
229-971-0
2-phenyl-3H-quinazolin-4-one
Molecular Formula:
C
14
H
10
N
2
O
Molecular Weight:
222.246 g/mol
Cas Number:
-
EINECS Number:
-
N,1-diphenylmethanimine
Molecular Formula:
C
13
H
11
N
Molecular Weight:
181.237 g/mol
Cas Number:
538-51-2
EINECS Number:
208-694-9
1-cyclohexene-1-carbaldehyde
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
1192-88-7
EINECS Number:
-
tert-butyl hydrazinecarboxylate
Molecular Formula:
C
5
H
12
N
2
O
2
Molecular Weight:
132.163 g/mol
Cas Number:
870-46-2
EINECS Number:
212-795-3
2-Aminobenzoic acid
Molecular Formula:
C
7
H
7
NO
2
Molecular Weight:
137.138 g/mol
Cas Number:
118-92-3
EINECS Number:
204-287-5
tert-butyl azidocarbonate
Molecular Formula:
C
5
H
9
N
3
O
2
Molecular Weight:
143.145 g/mol
Cas Number:
1070-19-5
EINECS Number:
-
Lysine
Molecular Formula:
C
6
H
14
N
2
O
2
Molecular Weight:
146.189 g/mol
Cas Number:
70-54-2
EINECS Number:
200-740-6
2-cyclohexen-1-one
Molecular Formula:
C
6
H
8
O
Molecular Weight:
96.129 g/mol
Cas Number:
930-68-7
EINECS Number:
213-223-5
N-methyl-N-phenylamine
Molecular Formula:
C
7
H
9
N
Molecular Weight:
107.155 g/mol
Cas Number:
100-61-8
EINECS Number:
202-870-9
3-phenylpropanenitrile
Molecular Formula:
C
9
H
9
N
Molecular Weight:
131.177 g/mol
Cas Number:
645-59-0
EINECS Number:
211-447-8
butyl thiocyanate
Molecular Formula:
C
5
H
9
NS
Molecular Weight:
115.199 g/mol
Cas Number:
628-83-1
EINECS Number:
211-056-2
benzylbenzene
Molecular Formula:
C
13
H
12
Molecular Weight:
168.238 g/mol
Cas Number:
101-81-5
EINECS Number:
202-978-6
1,2-diphenylethanone
Molecular Formula:
C
14
H
12
O
Molecular Weight:
196.249 g/mol
Cas Number:
451-40-1
EINECS Number:
207-193-2
4-methylamino-phenol
Molecular Formula:
C
7
H
9
NO
Molecular Weight:
123.155 g/mol
Cas Number:
150-75-4
EINECS Number:
-
phenethyl-benzene
Molecular Formula:
C
14
H
14
Molecular Weight:
182.265 g/mol
Cas Number:
103-29-7
EINECS Number:
203-096-4
1,2,4-trimethylbenzene
Molecular Formula:
C
9
H
12
Molecular Weight:
120.194 g/mol
Cas Number:
95-63-6
EINECS Number:
202-436-9
Phenyl dihydrogen phosphate
Molecular Formula:
C
6
H
7
O
4
P
Molecular Weight:
174.093 g/mol
Cas Number:
701-64-4
EINECS Number:
-
(2E)-1,4-diphenyl-2-butene-1,4-dione
Molecular Formula:
C
16
H
12
O
2
Molecular Weight:
236.27 g/mol
Cas Number:
959-28-4
EINECS Number:
213-498-1
4-(4-methylphenyl)pyridine
Molecular Formula:
C
12
H
11
N
Molecular Weight:
169.226 g/mol
Cas Number:
-
EINECS Number:
-
2-sulfanylbenzoic acid
Molecular Formula:
C
7
H
6
O
2
S
Molecular Weight:
154.189 g/mol
Cas Number:
147-93-3
EINECS Number:
205-704-3
(9E)-9-octadecenoic acid
Molecular Formula:
C
18
H
34
O
2
Molecular Weight:
282.467 g/mol
Cas Number:
112-79-8
EINECS Number:
204-006-6
Benzyl alcohol
Molecular Formula:
C
7
H
8
O
Molecular Weight:
108.14 g/mol
Cas Number:
100-51-6
EINECS Number:
202-859-9
1-isopropylvinylbenzene
Molecular Formula:
C
11
H
14
Molecular Weight:
146.232 g/mol
Cas Number:
-
EINECS Number:
-
o-toluidine
Molecular Formula:
C
7
H
9
N
Molecular Weight:
107.155 g/mol
Cas Number:
95-53-4
EINECS Number:
202-429-0
2-phenylethanamine
Molecular Formula:
C
8
H
11
N
Molecular Weight:
121.182 g/mol
Cas Number:
64-04-0
EINECS Number:
200-574-4
1-methoxy-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
9
H
9
NO
2
Molecular Weight:
163.176 g/mol
Cas Number:
-
EINECS Number:
-
Phenylethanolamine
Molecular Formula:
C
8
H
11
NO
Molecular Weight:
137.181 g/mol
Cas Number:
7568-93-6
EINECS Number:
231-469-1
4-oxo-4-phenylbutanoic acid
Molecular Formula:
C
10
H
10
O
3
Molecular Weight:
178.188 g/mol
Cas Number:
2051-95-8
EINECS Number:
218-135-0
benzenesulfonyl cyanide
Molecular Formula:
C
7
H
5
NO
3
S
Molecular Weight:
183.188 g/mol
Cas Number:
-
EINECS Number:
-
pyridin-4-yl-benzothiazole
Molecular Formula:
C
12
H
8
N
2
S
Molecular Weight:
212.275 g/mol
Cas Number:
2295-38-7
EINECS Number:
-
6-Hydroxy-1-tetralone
Molecular Formula:
C
10
H
10
O
2
Molecular Weight:
162.188 g/mol
Cas Number:
3470-50-6
EINECS Number:
-
4-hydroxy-2-methyl-6-quinolinecarboxylic acid
Molecular Formula:
C
11
H
9
NO
3
Molecular Weight:
203.197 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-6-chloro-3,5-pyridinedicarbonitrile
Molecular Formula:
C
7
H
3
ClN
4
Molecular Weight:
178.58 g/mol
Cas Number:
51768-01-5
EINECS Number:
-
4-methylbenzaldehyde
Molecular Formula:
C
8
H
8
O
Molecular Weight:
120.151 g/mol
Cas Number:
104-87-0
EINECS Number:
203-246-9
3-methylene-3a,4,5,6,7,7a-hexahydro-benzofuran-2-one
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
3727-53-5
EINECS Number:
-
4-Methoxybenzonitrile
Molecular Formula:
C
8
H
7
NO
Molecular Weight:
133.15 g/mol
Cas Number:
874-90-8
EINECS Number:
212-871-6
(2E)-3-phenyl-2-propenal
Molecular Formula:
C
9
H
8
O
Molecular Weight:
132.162 g/mol
Cas Number:
14371-10-9
EINECS Number:
203-213-9
(2E)-1-phenyl-2-buten-1-one
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
495-41-0
EINECS Number:
-
1-allylcyclohexanecarbaldehyde
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-methyl-2-propenyl)cyclohexanone
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
936-67-4
EINECS Number:
-
2,4-diphenylthiophene
Molecular Formula:
C
16
H
12
S
Molecular Weight:
236.337 g/mol
Cas Number:
3328-86-7
EINECS Number:
-
cyclohexyl(diphenyl)phosphine oxide
Molecular Formula:
C
18
H
21
OP
Molecular Weight:
284.338 g/mol
Cas Number:
13689-20-8
EINECS Number:
237-204-6
2,4-diphenyl-1H-pyrrole
Molecular Formula:
C
16
H
13
N
Molecular Weight:
219.286 g/mol
Cas Number:
3274-56-4
EINECS Number:
-
3-phenylfuran
Molecular Formula:
C
10
H
8
O
Molecular Weight:
144.173 g/mol
Cas Number:
-
EINECS Number:
-
1-(trifluoromethyl)-prop-2-enyl-benzene
Molecular Formula:
C
10
H
9
F
3
Molecular Weight:
186.177 g/mol
Cas Number:
-
EINECS Number:
-
[(1E)-3,4,4,4-tetrafluoro-3-(trifluoromethyl)-1-butenyl]benzene
Molecular Formula:
C
11
H
7
F
7
Molecular Weight:
272.165 g/mol
Cas Number:
-
EINECS Number:
-
phenylacetaldehyde
Molecular Formula:
C
8
H
8
O
Molecular Weight:
120.151 g/mol
Cas Number:
122-78-1
EINECS Number:
204-574-5
2-phenylcyclohexanone
Molecular Formula:
C
12
H
14
O
Molecular Weight:
174.243 g/mol
Cas Number:
1444-65-1
EINECS Number:
215-888-7
2,5-undecanedione
Molecular Formula:
C
11
H
20
O
2
Molecular Weight:
184.279 g/mol
Cas Number:
7018-92-0
EINECS Number:
-
1-(2-methoxyphenyl)acetone
Molecular Formula:
C
10
H
12
O
2
Molecular Weight:
164.204 g/mol
Cas Number:
5211-62-1
EINECS Number:
226-008-6
lauraldehyde
Molecular Formula:
C
12
H
24
O
Molecular Weight:
184.322 g/mol
Cas Number:
112-54-9
EINECS Number:
203-983-6
azido-methyl-benzene
Molecular Formula:
C
7
H
7
N
3
Molecular Weight:
133.153 g/mol
Cas Number:
622-79-7
EINECS Number:
-
1-cyclohexene-1-carbonitrile
Molecular Formula:
C
7
H
9
N
Molecular Weight:
107.155 g/mol
Cas Number:
1855-63-6
EINECS Number:
217-454-2
vinylbenzene
Molecular Formula:
C
8
H
8
Molecular Weight:
104.152 g/mol
Cas Number:
100-42-5
EINECS Number:
202-851-5
(2E)-2-hexenal
Molecular Formula:
C
6
H
10
O
Molecular Weight:
98.145 g/mol
Cas Number:
6728-26-3
EINECS Number:
229-778-1
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