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1263377-60-1 | 3-Pyridinecarboxylic acid, 5-(2-cyanophenyl)-
CAS No: 1263377-60-1 Catalog No: AG000SNP MDL No:
Product Description
Catalog Number:
AG000SNP
Chemical Name:
3-Pyridinecarboxylic acid, 5-(2-cyanophenyl)-
CAS Number:
1263377-60-1
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
IUPAC Name:
5-(2-cyanophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H8N2O2/c14-6-9-3-1-2-4-12(9)10-5-11(13(16)17)8-15-7-10/h1-5,7-8H,(H,16,17)
InChI Key:
ZDZSTNJZTGNOQM-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cncc(c1)C(=O)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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