3,8-Dihydroxy-4-Methoxy-2-Oxo-2H-Chromene-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H8O7
IUPAC Name 3,8-dihydroxy-4-methoxy-2-oxo-chromene-5-carboxylic acid
Molecular Mass 252.177 g·mol−1
Heat of Formation -1000.7 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 257.06 Å 3
Surface Area 237.27 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-5-carboxylic adid, 3,8-dihydroxy-4-methoxy-2-oxo-
  • 3,8-dhmcc
  • 3,8-dihydroxy-2-keto-4-methoxy-chromene-5-carboxylic acid
  • 3,8-dihydroxy-4-methoxy-2-oxo-2-h-1-benzopyran-5-carboxylic acid
  • 3,8-dihydroxy-4-methoxy-2-oxo-2h-1-benzopyran-5-carboxylic acid
  • 3,8-dihydroxy-4-methoxy-2-oxo-5-chromenecarboxylic acid
CAS Number(s)
  • 125124-66-5
InChIKey ZWHGKGZEJKYFFJ-UHFFFAOYSA-N
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