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1247562-67-9 | 3-oxo-2H,3H,7H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS No: 1247562-67-9 Catalog No: AG01FK2V MDL No:
Product Description
Catalog Number:
AG01FK2V
Chemical Name:
3-oxo-2H,3H,7H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Number:
1247562-67-9
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
IUPAC Name:
3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C7H5N3O3/c11-6-4-1-3(7(12)13)2-8-5(4)9-10-6/h1-2H,(H,12,13)(H2,8,9,10,11)
InChI Key:
BOOLACNCOOAZCY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c(c1)c(=O)[nH]n2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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