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52116-83-3,MFCD00157182
Catalog No.:AA003I1E
52116-83-3 | Methyl 3-(4-cyanophenyl)acrylate
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250mg
97%
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$171.00   $120.00
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Technical Information
Catalog Number:
AA003I1E
Chemical Name:
Methyl 3-(4-cyanophenyl)acrylate
CAS Number:
52116-83-3
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00157182
IUPAC Name:
methyl (E)-3-(4-cyanophenyl)prop-2-enoate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,1H3/b7-6+
InChI Key:
CDZMIJFSAZPYEZ-VOTSOKGWSA-N
SMILES:
COC(=O)/C=C/c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
266  
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:
2.3  

Synonyms
 
(E)-Methyl 3-(4-cyanophenyl)acrylate 
67472-79-1 
(E)-Methyl-4-cyanocinnamate 
methyl p-cyano-trans-cinnamate 
SCHEMBL7102972 
SCHEMBL7102981 
CDZMIJFSAZPYEZ-VOTSOKGWSA-N 
CM0019 
FCH916320 
ZINC12359675 
AKOS006230157 
(E)-methyl-3-(4-cyanophenyl)acrylate 
Methyl 3-(4-cyanophenyl)acrylate 
4-Cyanobenzeneacrylic acid methyl ester 
CM-1967 
FCH4695142 
methyl (E)-3-(4-cyanophenyl)acrylate 
ACM52116833 
methyl (2E)-3-(4-cyanophenyl)acrylate 
AJ-61581 
AK162788 
BBV-42866018 
CJ-13928 
52116-83-3 
AX8162660 
DB-002141 
TC-155310 
TC-170204 
ST24047772 
3-(4-cyanophenyl)propenoic acid methyl ester 
Methyl (2E)-3-(4-Cyanophenyl)Prop-2-Enoate 
I01-1275 
S01-0875 
METHYL3- ACRYLATE 
METHYL 4-CYANOCINNAMATE 
3- -ACRYLICACIDMETHYLESTER 
(E)-Methyl3-(4-cyanophenyl)acrylate 
CID11106082 
Methyl (E)-3-(4-cyanophenyl)prop-2-enoate 
4-Cyanocinnamic acid methyl ester 
Q-103436 
3-(4-CYANO-PHENYL)-ACRYLIC ACID METHYL ESTER 
MFCD00157182 
AC1Q41KB 
Literature
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