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116855-08-4 | 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid
CAS No: 116855-08-4 Catalog No: AG000DBF MDL No:MFCD11040725
Product Description
Catalog Number:
AG000DBF
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid
CAS Number:
116855-08-4
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD11040725
IUPAC Name:
2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H5N3O2/c11-7(12)5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,11,12)(H,8,9,10)
InChI Key:
UFKAACYLUOQSFH-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1cccn2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/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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