Home Other Building Blocks 52116-81-1
52116-81-1,MFCD08064268
Catalog No.:AA003HZI
52116-81-1 | 3-(3-Cyanophenyl)-acrylic acid methyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$43.00   $30.00
- +
5g
96%
in stock  
$158.00   $110.00
- +
25g
96%
in stock  
$620.00   $434.00
- +
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Technical Information
Catalog Number:
AA003HZI
Chemical Name:
3-(3-Cyanophenyl)-acrylic acid methyl ester
CAS Number:
52116-81-1
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD08064268
IUPAC Name:
methyl (E)-3-(3-cyanophenyl)prop-2-enoate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)6-5-9-3-2-4-10(7-9)8-12/h2-7H,1H3/b6-5+
InChI Key:
BQJYULBYGRTLPZ-AATRIKPKSA-N
SMILES:
COC(=O)/C=C/c1cccc(c1)C#N
Properties
Computed Properties
 
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
52116-81-1 
Methyl 3-(3-cyanophenyl)acrylate 
SCHEMBL24313 
BQJYULBYGRTLPZ-AATRIKPKSA-N 
FCH919484 
ZINC12359797 
methyl(E)-3-(3-cyanophenyl)acrylate 
AKOS006221827 
FCH5709595 
Methyl (E)-3-(3-cyanophenyl)acrylate 
ACM52116811 
Methyl (2E)-3-(3-cyanophenyl)acrylate 
3-(3-Cyano-phenyl)-acrylic acid methyl ester 
AJ-61611 
AK144217 
AS-35415 
BBV-42868195 
AB0073154 
AX8037305 
TC-170235 
3-(3-Cyanophenyl)-acrylic acid methyl ester 
methyl (E)-3-(3-cyanophenyl)prop-2-enoate 
ST24047767 
193151-10-9 
Methyl (2E)-3-(3-Cyanophenyl)Prop-2-Enoate 
X-1544 
I14-92094 
(E)-methyl 3-(3-cyanophenyl)acrylate 
3-Cyanocinnamic acid methyl ester 
MFCD08064268 
Methyl 3-cyanocinnamate 
2-Propenoic acid, 3-(3-cyanophenyl)-, methyl ester 
AC1Q41KF 
SCHEMBL24312 
Literature
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