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Home > Pyridines > 2059988-85-9
2059988-85-9 | 1-tert-butyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS No: 2059988-85-9 Catalog No: AG01BWOJ MDL No:MFCD30477274
Product Description
Catalog Number:
AG01BWOJ
Chemical Name:
1-tert-butyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4,6-diol
CAS Number:
2059988-85-9
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD30477274
IUPAC Name:
1-tert-butyl-4-hydroxy-3-methyl-7H-pyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C11H15N3O2/c1-6-9-7(15)5-8(16)12-10(9)14(13-6)11(2,3)4/h5H,1-4H3,(H2,12,15,16)
InChI Key:
SONQKXGKVQTFRF-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(n1)n(nc2C)C(C)(C)C
Properties
Complexity:
346
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:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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