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Home > Pyridines > 937600-04-9
937600-04-9 | 4-(3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)benzoic acid
CAS No: 937600-04-9 Catalog No: AG00JF97 MDL No:MFCD08556237
Product Description
Catalog Number:
AG00JF97
Chemical Name:
4-(3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)benzoic acid
CAS Number:
937600-04-9
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
MDL Number:
MFCD08556237
IUPAC Name:
4-(3-methylpyrazolo[3,4-b]pyridin-1-yl)benzoic acid
InChI:
InChI=1S/C14H11N3O2/c1-9-12-3-2-8-15-13(12)17(16-9)11-6-4-10(5-7-11)14(18)19/h2-8H,1H3,(H,18,19)
InChI Key:
VPXXZIQSLKJXQK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1nc(c2c1nccc2)C
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:
2.4
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