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75427-12-2 | 1-benzyl-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS No: 75427-12-2 Catalog No: AG01BWOH MDL No:MFCD30477271
Product Description
Catalog Number:
AG01BWOH
Chemical Name:
1-benzyl-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS Number:
75427-12-2
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD30477271
IUPAC Name:
1-benzyl-4-hydroxy-7H-pyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C13H11N3O2/c17-11-6-12(18)15-13-10(11)7-14-16(13)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,17,18)
InChI Key:
ALHRPZBSXRHRNO-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(n1)n(nc2)Cc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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