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116855-09-5 | 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 1-methyl-
CAS No: 116855-09-5 Catalog No: AG000DBE MDL No:MFCD11109332
Product Description
Catalog Number:
AG000DBE
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 1-methyl-
CAS Number:
116855-09-5
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD11109332
IUPAC Name:
1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-11-7-5(3-2-4-9-7)6(10-11)8(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
WEZYUZRHWLFJDN-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1nccc2)C(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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