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Home > Pyridines > 116081-20-0
116081-20-0 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-4-hydroxy-6-methyl-
CAS No: 116081-20-0 Catalog No: AG000BL0 MDL No:MFCD09838953
Product Description
Catalog Number:
AG000BL0
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-4-hydroxy-6-methyl-
CAS Number:
116081-20-0
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD09838953
IUPAC Name:
6-methyl-2,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,4-dione
InChI:
InChI=1S/C7H7N3O2/c1-3-2-4(11)5-6(8-3)9-10-7(5)12/h2H,1H3,(H3,8,9,10,11,12)
InChI Key:
KVVBXGWVNVZOTF-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)[nH][nH]c2=O
NSC Number:
163158
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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