6-Carbomethoxy-7-Hydroxycoumarin

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Properties Simple | Detailed

Formula C11H9O5+
IUPAC Name methyl 7-hydroxy-2-oxo-chromene-6-carboxylate
Molecular Mass 221.186 g·mol−1
Heat of Formation -721.2 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 233.56 Å 3
Surface Area 227.55 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-6-carboxylic acid, 7-hydroxy-2-oxo-, methyl ester
  • 7-hydroxy-2-keto-chromene-6-carboxylic acid methyl ester
  • 7-hydroxy-2-oxo-6-chromenecarboxylic acid methyl ester
  • methyl 7-hydroxy-2-oxochromene-6-carboxylate
  • peuruthenicin
CAS Number(s)
  • 52591-14-7
InChIKey LEIVLXXHPABGQA-UHFFFAOYSA-N
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Elements H C O