3-Methyl-4-Oxo-2-Phenyl-4H-Chromene-8-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H12O4
IUPAC Name 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylic acid
Molecular Mass 280.275 g·mol−1
Heat of Formation -438.4 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 314.45 Å 3
Surface Area 283.7 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-4-oxo-2-phenyl-4h-1-benzopyran-8-carboxylic acid
  • 3-methyl-4-oxo-2-phenyl-8-chromenecarboxylic acid
  • 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
  • 3-methylflavone-8-carboxaldehyde
  • 3-methylflavone-8-carboxylic acid
  • 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid
  • 4h-1-benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-
  • enamine_005545
CAS Number(s)
  • 3468-01-7
InChIKey KMMBBZOSQNLLMN-UHFFFAOYSA-N
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