7-Diethylaminocoumarin-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H16NO4+
IUPAC Name 7-(diethylamino)-2-oxo-chromene-3-carboxylic acid
Molecular Mass 262.281 g·mol−1
Heat of Formation -589.5 ± 16.7 kJ·mol−1
Dipole Moment 9.22 ± 1.08 D
Volume 304.0 Å 3
Surface Area 279.96 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-
  • 7-(diethylamino)coumarin-3-carboxylic acid
  • 7-deacca
  • 7-diethylamino-2-keto-chromene-3-carboxylic acid
  • 7-diethylamino-2-oxo-3-chromenecarboxylic acid
  • 7-diethylamino-2-oxo-chromene-3-carboxylic acid
  • 7-diethylamino-2-oxochromene-3-carboxylic acid
  • bb_nc-0384
  • chemdiv2_007849
  • oprea1_775235
CAS Number(s)
  • 50995-74-9
InChIKey WHCPTFFIERCDSB-UHFFFAOYSA-N
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