5-Hydroxy-4-Oxo-10-Propyl-6,7,8,9-Tetrahydro-4H-Benzo[G]Chromene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H18O5
IUPAC Name 5-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
Molecular Mass 302.322 g·mol−1
Heat of Formation -797.2 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 350.29 Å 3
Surface Area 304.97 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-naphtho(2,3-b)pyran-2-carboxylic acid, 6,7,8,9-tetrahydro-5-hydroxy-4-oxo-10-propyl-
  • 5-hydroxy-4-keto-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
  • 6,7,8,9-tetrahydro-5-hydroxy-4-oxo-10-propyl-4h-naphtho(2,3-b)pyran-2-carboxylic acid
  • d05645
  • proxicromil
  • proxicromil (usan)
CAS Number(s)
  • 60400-92-2
InChIKey VFFTVZUIDYJUQS-UHFFFAOYSA-N
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