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2942-45-2 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-1-methyl-
CAS No: 2942-45-2 Catalog No: AG002YBL MDL No:MFCD16619880
Product Description
Catalog Number:
AG002YBL
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-1-methyl-
CAS Number:
2942-45-2
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD16619880
IUPAC Name:
1-methyl-2H-pyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C7H7N3O/c1-10-6-5(7(11)9-10)3-2-4-8-6/h2-4H,1H3,(H,9,11)
InChI Key:
KCICHMZBIOESPK-UHFFFAOYSA-N
SMILES:
Cn1[nH]c(=O)c2c1nccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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