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18269-12-0 | 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-, ethyl ester
CAS No: 18269-12-0 Catalog No: AG00241U MDL No:
Product Description
Catalog Number:
AG00241U
Chemical Name:
2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-, ethyl ester
CAS Number:
18269-12-0
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
ethyl 2-cyano-3-(4-cyanophenyl)prop-2-enoate
InChI:
InChI=1S/C13H10N2O2/c1-2-17-13(16)12(9-15)7-10-3-5-11(8-14)6-4-10/h3-7H,2H2,1H3
InChI Key:
NDRZEZOQINRJMQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(cc1)C#N)C#N
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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