6-Hydroxy-3,4,5-Trimethyl-8-Oxo-4,8-Dihydro-3H-Isochromene-7-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C13H14O5 |
IUPAC Name | (3r,4s)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid |
Molecular Mass | 250.247 g·mol−1 |
Heat of Formation | -816.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.50 ± 1.08 D |
Volume | 286.18 Å 3 |
Surface Area | 254.25 Å 2 |
HOMO Energy | -9.16 ± 0.55 eV |
LUMO Energy | -1.24 ± eV |
Point Group Symmetry | C1 |
InChIKey | CBGDIJWINPWWJW-IYSWYEEDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |