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28739-56-2 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-2-(phenylmethyl)-
CAS No: 28739-56-2 Catalog No: AG002WB7 MDL No:
Product Description
Catalog Number:
AG002WB7
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-2-(phenylmethyl)-
CAS Number:
28739-56-2
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
2-benzyl-1H-pyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C13H11N3O/c17-13-11-7-4-8-14-12(11)15-16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChI Key:
OHAACBLPMHLPIP-UHFFFAOYSA-N
SMILES:
O=c1n(Cc2ccccc2)[nH]c2c1cccn2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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