4-{(E)-2-[1-Carboxy-2-(3,4-Dihydroxy-Phenyl)-Ethoxycarbonyl]-Vinyl}-2-(3,4-Dihydroxy-Phenyl)-7-Hydroxy-2,3-Dihydro-Benzofuran-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H22O12 |
| IUPAC Name | (2s,3s)-4-[(e)-3-[(1s)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid |
| Molecular Mass | 538.456 g·mol−1 |
| Heat of Formation | -1822.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.10 ± 1.08 D |
| Volume | 582.46 Å 3 |
| Surface Area | 473.41 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | 2.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UJZQBMQZMKFSRV-WDMOTZMRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |