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49834-67-5 | 1H-pyrazolo[3,4-b]pyridin-4(7H)-one
CAS No: 49834-67-5 Catalog No: AG00DJVU MDL No:
Product Description
Catalog Number:
AG00DJVU
Chemical Name:
1H-pyrazolo[3,4-b]pyridin-4(7H)-one
CAS Number:
49834-67-5
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
IUPAC Name:
1,7-dihydropyrazolo[3,4-b]pyridin-4-one
InChI:
InChI=1S/C6H5N3O/c10-5-1-2-7-6-4(5)3-8-9-6/h1-3H,(H2,7,8,9,10)
InChI Key:
UDWCKMMKPOGURO-UHFFFAOYSA-N
SMILES:
Oc1ccnc2c1cn[nH]2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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