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Home > Nitro Compounds > 1002726-59-1
1002726-59-1 | 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2,2-dimethyl-6-nitro-
CAS No: 1002726-59-1 Catalog No: AG0001FH MDL No:MFCD10000811
Product Description
Catalog Number:
AG0001FH
Chemical Name:
2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2,2-dimethyl-6-nitro-
CAS Number:
1002726-59-1
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
MDL Number:
MFCD10000811
IUPAC Name:
2,2-dimethyl-6-nitro-4H-pyrido[3,2-b][1,4]oxazin-3-one
InChI:
InChI=1S/C9H9N3O4/c1-9(2)8(13)11-7-5(16-9)3-4-6(10-7)12(14)15/h3-4H,1-2H3,(H,10,11,13)
InChI Key:
QPNDHHGIJAMRMD-UHFFFAOYSA-N
SMILES:
O=C1Nc2nc(ccc2OC1(C)C)[N+](=O)[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.188g/mol
Monoisotopic Mass:
223.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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