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1227270-40-7 | 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-methyl-
CAS No: 1227270-40-7 Catalog No: AG000J6M MDL No:
Product Description
Catalog Number:
AG000J6M
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-methyl-
CAS Number:
1227270-40-7
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-4-2-5(8(12)13)6-3-9-11-7(6)10-4/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
OENGXHQUFFBSJW-UHFFFAOYSA-N
SMILES:
Cc1cc(C(=O)O)c2c(n1)[nH]nc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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