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14533-92-7 | 2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)-
CAS No: 14533-92-7 Catalog No: AG001KT4 MDL No:
Product Description
Catalog Number:
AG001KT4
Chemical Name:
2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, (2E)-
CAS Number:
14533-92-7
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
ethyl 2-cyano-3-phenylbut-2-enoate
InChI:
InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3
InChI Key:
AJDOTEWSLNGINB-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(/c1ccccc1)\C)/C#N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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