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28491-58-9 | 1H-Pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione, 4-methyl-
CAS No: 28491-58-9 Catalog No: AG002VIX MDL No:
Product Description
Catalog Number:
AG002VIX
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione, 4-methyl-
CAS Number:
28491-58-9
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
IUPAC Name:
4-methyl-2,7-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6-dione
InChI:
InChI=1S/C7H7N3O2/c1-3-2-4(11)8-6-5(3)7(12)10-9-6/h2H,1H3,(H3,8,9,10,11,12)
InChI Key:
JEXQJNXLBXJOEE-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c([nH]1)[nH][nH]c2=O
UNII:
V99F3G7CRL
NSC Number:
84237
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:
3
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:
-0.7
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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