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113296-37-0 | Benzoic acid, 4-(1H-imidazo[4,5-c]pyridin-2-yl)-
CAS No: 113296-37-0 Catalog No: AG008216 MDL No:
Product Description
Catalog Number:
AG008216
Chemical Name:
Benzoic acid, 4-(1H-imidazo[4,5-c]pyridin-2-yl)-
CAS Number:
113296-37-0
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
InChI:
InChI=1S/C13H9N3O2/c17-13(18)9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,(H,15,16)(H,17,18)
InChI Key:
VFNQUSRGVSPQPX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1nc2c([nH]1)ccnc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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