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28491-62-5 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-4-methyl-
CAS No: 28491-62-5 Catalog No: AG002VIV MDL No:
Product Description
Catalog Number:
AG002VIV
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-4-methyl-
CAS Number:
28491-62-5
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
IUPAC Name:
4-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C7H7N3O/c1-4-2-3-8-6-5(4)7(11)10-9-6/h2-3H,1H3,(H2,8,9,10,11)
InChI Key:
NIXXBKJNDYXYIW-UHFFFAOYSA-N
SMILES:
Cc1ccnc2c1c(=O)[nH][nH]2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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