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1261944-75-5 | 2-Pyridinecarboxylic acid, 5-(3-cyanophenyl)-
CAS No: 1261944-75-5 Catalog No: AG000S84 MDL No:
Product Description
Catalog Number:
AG000S84
Chemical Name:
2-Pyridinecarboxylic acid, 5-(3-cyanophenyl)-
CAS Number:
1261944-75-5
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
IUPAC Name:
5-(3-cyanophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H8N2O2/c14-7-9-2-1-3-10(6-9)11-4-5-12(13(16)17)15-8-11/h1-6,8H,(H,16,17)
InChI Key:
MDGPVPPPLLAGEU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(nc1)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:
2.1
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