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Home > Pyridines > 2060020-27-9
2060020-27-9 | 1-(3-methylbutyl)-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS No: 2060020-27-9 Catalog No: AG01BWOI MDL No:MFCD30477272
Product Description
Catalog Number:
AG01BWOI
Chemical Name:
1-(3-methylbutyl)-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS Number:
2060020-27-9
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD30477272
IUPAC Name:
4-hydroxy-1-(3-methylbutyl)-7H-pyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C11H15N3O2/c1-7(2)3-4-14-11-8(6-12-14)9(15)5-10(16)13-11/h5-7H,3-4H2,1-2H3,(H2,13,15,16)
InChI Key:
ROBSYAIOIWGOJV-UHFFFAOYSA-N
SMILES:
CC(CCn1ncc2c1nc(O)cc2O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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