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AA01653

1002726-59-1 | 2,2-Dimethyl-6-nitro-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one

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1g 95% In Stock US $200.00 $140.00 -   +

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Description
Catalog Number: AA01653
Chemical Name: 2,2-Dimethyl-6-nitro-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
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
InChl: 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)
InChl Key: QPNDHHGIJAMRMD-UHFFFAOYSA-N
SMILES: O=C1Nc2nc(ccc2OC1(C)C)[N+](=O)[O-]

 

Computed 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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