4-Hydroxy-4-(Hydroxymethyl)-6,7-Dimethyl-3-Oxo-1,3,4,7,7A,9A-Hexahydropentaleno[1,6A-C]Pyran-9-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H18O6 |
| IUPAC Name | (1r,4ar,6ar,7r,9as)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid |
| Molecular Mass | 294.300 g·mol−1 |
| Heat of Formation | -1011.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.86 ± 1.08 D |
| Volume | 333.2 Å 3 |
| Surface Area | 276.78 Å 2 |
| HOMO Energy | -10.03 ± 0.55 eV |
| LUMO Energy | -0.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FWDDYLWFBHUEKH-ULEBWITMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |