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144285-24-5 | 2,5-Hexadienoic acid, 2-cyano-6-phenyl-
CAS No: 144285-24-5 Catalog No: AG001J7W MDL No:
Product Description
Catalog Number:
AG001J7W
Chemical Name:
2,5-Hexadienoic acid, 2-cyano-6-phenyl-
CAS Number:
144285-24-5
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-cyano-6-phenylhexa-2,5-dienoic acid
InChI:
InChI=1S/C13H11NO2/c14-10-12(13(15)16)9-5-4-8-11-6-2-1-3-7-11/h1-4,6-9H,5H2,(H,15,16)
InChI Key:
QSQBELSUHZLLQC-UHFFFAOYSA-N
SMILES:
N#CC(=CCC=Cc1ccccc1)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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