4-Oxo-6-Propyl-4H-Chromene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H13O4+
IUPAC Name 4-oxo-6-propyl-chromene-2-carboxylic acid
Molecular Mass 233.240 g·mol−1
Heat of Formation -551.6 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 269.94 Å 3
Surface Area 257.54 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4-keto-6-propyl-chromene-2-carboxylic acid
  • 4-oxo-6-propyl-2-chromenecarboxylic acid
  • 4-oxo-6-propylchromene-2-carboxylic acid
  • 4h-1-benzopyran-2-carboxylic acid, 4-oxo-6-propyl-
  • 6-n-propylchromone-2-carboxylic acid
  • 6-propylchromone-2-carboxylic acid
  • pcca
CAS Number(s)
  • 141474-82-0
InChIKey MXCVHSXCXPHOLP-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O