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1227269-38-6 | 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 3-methyl-
CAS No: 1227269-38-6 Catalog No: AG000J4Q MDL No:
Product Description
Catalog Number:
AG000J4Q
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 3-methyl-
CAS Number:
1227269-38-6
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-4-6-5(8(12)13)2-3-9-7(6)11-10-4/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChI Key:
LRFQQKMCPYNVAV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1c(C)n[nH]2
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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