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54738-76-0 | 1-methyl-1H,4H,7H-pyrazolo[3,4-b]pyridin-4-one
CAS No: 54738-76-0 Catalog No: AG01A5AZ MDL No:MFCD14281916
Product Description
Catalog Number:
AG01A5AZ
Chemical Name:
1-methyl-1H,4H,7H-pyrazolo[3,4-b]pyridin-4-one
CAS Number:
54738-76-0
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD14281916
IUPAC Name:
1-methyl-7H-pyrazolo[3,4-b]pyridin-4-one
InChI:
InChI=1S/C7H7N3O/c1-10-7-5(4-9-10)6(11)2-3-8-7/h2-4H,1H3,(H,8,11)
InChI Key:
IHDSLGMLCFSPFI-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c2c1cnn2C
Properties
Complexity:
214
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:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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