Chlorohydroaspyrone A
Properties
| Property | Value |
|---|---|
| Formula | C9H13ClO4 |
| IUPAC Name | (2r,3s)-5-[(1r,2s)-1-chloro-2-hydroxy-propyl]-3-hydroxy-2-methyl-2,3-dihydropyran-6-one |
| Molecular Mass | 220.650 g·mol−1 |
| Heat of Formation | -781.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.72 ± 1.08 D |
| Volume | 245.53 Å 3 |
| Surface Area | 220.74 Å 2 |
| HOMO Energy | -10.47 ± 0.55 eV |
| LUMO Energy | 2.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IIYOOZPJDRONSJ-JJJMYNALSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Cl |