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52116-83-3 | Methyl 3-(4-cyanophenyl)acrylate
CAS No: 52116-83-3 Catalog No: AG003I46 MDL No:MFCD00157182
Product Description
Catalog Number:
AG003I46
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
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
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