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75746-64-4 | 2-Propenoic acid, 3-(2-cyanophenyl)-, methyl ester
CAS No: 75746-64-4 Catalog No: AG005IQG MDL No:
Product Description
Catalog Number:
AG005IQG
Chemical Name:
2-Propenoic acid, 3-(2-cyanophenyl)-, methyl ester
CAS Number:
75746-64-4
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
methyl 3-(2-cyanophenyl)prop-2-enoate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)7-6-9-4-2-3-5-10(9)8-12/h2-7H,1H3
InChI Key:
IAAPYNQXOSADHV-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1ccccc1C#N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
1.9
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