Products 1185071-64-0

CAS 1185071-64-0 appears in our catalog under these names: Acenocoumarol-d4, >95% (HPLC), Acenocoumarol-d5. Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 1 mg, 10 mg.

Acenocoumarol-d4, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Acenocoumarol-d5
MedChemExpress
  • size: 1 mg, 10 mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

4-hydroxy-3-[3-oxo-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)butyl]chromen-2-one (CAS 1185071-64-0) is a chemical compound with the molecular formula C19H15NO6 and a molecular weight of 357.3 g/mol. IUPAC name: 4-hydroxy-3-[3-oxo-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)butyl]chromen-2-one. InChIKey: VABCILAOYCMVPS-YKVCKAMESA-N.

Identity
Molecular formulaC19H15NO6
Molecular weight357.3 g/mol
IUPAC name4-hydroxy-3-[3-oxo-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)butyl]chromen-2-one
InChIKeyVABCILAOYCMVPS-YKVCKAMESA-N
SMILES[2H]C1=C(C(=C(C(=C1C(CC(=O)C)C2=C(C3=CC=CC=C3OC2=O)O)[2H])[2H])[N+](=O)[O-])[2H]

Computed by PubChem (NCBI)

Synonyms: Acenocoumarol-d4, 4-hydroxy-3-[3-oxo-1-(2,3,5,6-tetradeuterio-4-nitro-phenyl)butyl]chromen-2-one, 4-hydroxy-3-[3-oxo-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)butyl]chromen-2-one
Related forms of this compound
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one C19H15NO6
4-hydroxy-3-[(1R)-1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one C19H15NO6
4-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one C19H15NO6
Isomers (same molecular formula)
1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylic acid C19H15NO6