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Home > Nitro Compounds > 1186609-73-3
1186609-73-3 | 5-nitro-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
CAS No: 1186609-73-3 Catalog No: AG01DUCA MDL No:MFCD18917374
Product Description
Catalog Number:
AG01DUCA
Chemical Name:
5-nitro-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
CAS Number:
1186609-73-3
Molecular Formula:
C6H4N4O3
Molecular Weight:
180.1210
MDL Number:
MFCD18917374
IUPAC Name:
5-nitro-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C6H4N4O3/c11-6-4-1-3(10(12)13)2-7-5(4)8-9-6/h1-2H,(H2,7,8,9,11)
InChI Key:
RNBOURUUSIHRIZ-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c2c1cc(cn2)[N+](=O)[O-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.123g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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