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20655-58-7 | 2-Propenoic acid, 3-(4-cyanophenyl)-, ethyl ester
CAS No: 20655-58-7 Catalog No: AG002IJV MDL No:MFCD09038523
Product Description
Catalog Number:
AG002IJV
Chemical Name:
2-Propenoic acid, 3-(4-cyanophenyl)-, ethyl ester
CAS Number:
20655-58-7
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD09038523
IUPAC Name:
ethyl 3-(4-cyanophenyl)prop-2-enoate
InChI:
InChI=1S/C12H11NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2H2,1H3
InChI Key:
NVLBOCIUMFYPGI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1ccc(cc1)C#N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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