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132026-12-1 | Benzoic acid, 4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-
CAS No: 132026-12-1 Catalog No: AG00102L MDL No:
Product Description
Catalog Number:
AG00102L
Chemical Name:
Benzoic acid, 4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-
CAS Number:
132026-12-1
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoic acid
InChI:
InChI=1S/C14H11N3O2/c1-9-16-12-8-15-7-6-13(12)17(9)11-4-2-10(3-5-11)14(18)19/h2-8H,1H3,(H,18,19)
InChI Key:
ZPSBZAONUUOSTH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1c(C)nc2c1ccnc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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