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1261943-53-6 | 3-Pyridinecarboxylic acid, 4-(4-cyanophenyl)-
CAS No: 1261943-53-6 Catalog No: AG000S88 MDL No:MFCD18323329
Product Description
Catalog Number:
AG000S88
Chemical Name:
3-Pyridinecarboxylic acid, 4-(4-cyanophenyl)-
CAS Number:
1261943-53-6
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
MDL Number:
MFCD18323329
IUPAC Name:
4-(4-cyanophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H8N2O2/c14-7-9-1-3-10(4-2-9)11-5-6-15-8-12(11)13(16)17/h1-6,8H,(H,16,17)
InChI Key:
JBDWRDZLMVIYDW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccncc1C(=O)O
Properties
Complexity:
326
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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