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28491-67-0 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-4,6-dimethyl-
CAS No: 28491-67-0 Catalog No: AG002VIS MDL No:MFCD00022783
Product Description
Catalog Number:
AG002VIS
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-4,6-dimethyl-
CAS Number:
28491-67-0
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD00022783
IUPAC Name:
4,6-dimethyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C8H9N3O/c1-4-3-5(2)9-7-6(4)8(12)11-10-7/h3H,1-2H3,(H2,9,10,11,12)
InChI Key:
CMSUKWHWNLICEI-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc2c1c(=O)[nH][nH]2
NSC Number:
24484
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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