(4R,6R,7S)-4,6,7-Trihydroxy-2-[(1E)-1-Propen-1-Yl]-4,5,6,7-Tetrahydro-1-Benzothiophene-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H14O5S |
| IUPAC Name | (4r,6r,7s)-4,6,7-trihydroxy-2-[(e)-prop-1-enyl]-6,7-dihydro-5h-benzothiophene-4-carboxylic acid |
| Molecular Mass | 270.302 g·mol−1 |
| Heat of Formation | -819.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.16 ± 1.08 D |
| Volume | 298.12 Å 3 |
| Surface Area | 270.43 Å 2 |
| HOMO Energy | -9.14 ± 0.55 eV |
| LUMO Energy | -1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XBFFFFBWIVSOII-PJMUFDJCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O |