5-{[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Methyl}-1,3-Benzodioxole-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H16O5 |
| IUPAC Name | 5-[[(1s,2r)-2-hydroxyindan-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid |
| Molecular Mass | 312.317 g·mol−1 |
| Heat of Formation | -665.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.81 ± 1.08 D |
| Volume | 354.79 Å 3 |
| Surface Area | 304.68 Å 2 |
| HOMO Energy | -9.08 ± 0.55 eV |
| LUMO Energy | -0.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FKYANCWJUDZVNQ-UONOGXRCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |