[(3R,10Ar)-9,10A-Dihydroxy-1-Methyl-5,10-Dioxo-3,4,4A,5,10,10A-Hexahydro-1H-Benzo[G]Isochromen-3-Yl]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C16H16O7 |
| IUPAC Name | 2-[(1r,3r,4as,10ar)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid |
| Molecular Mass | 320.294 g·mol−1 |
| Heat of Formation | -1149.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.75 ± 1.08 D |
| Volume | 350.36 Å 3 |
| Surface Area | 299.01 Å 2 |
| HOMO Energy | -9.79 ± 0.55 eV |
| LUMO Energy | -1.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IRFITFGOKXSNHV-AFXPVKSRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |