3,5-O-Dicaffeoylquinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H24O12 |
| IUPAC Name | (3r,5r)-3,5-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid |
| Molecular Mass | 516.451 g·mol−1 |
| Heat of Formation | -1863.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.70 ± 1.08 D |
| Volume | 570.14 Å 3 |
| Surface Area | 500.73 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -1.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KRZBCHWVBQOTNZ-PSEXTPKNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |