Chlorohydroaspyrone B
Properties
Property | Value |
---|---|
Formula | C9H13ClO4 |
IUPAC Name | (2r,3s)-5-[(1s,2s)-2-chloro-1-hydroxy-propyl]-3-hydroxy-2-methyl-2,3-dihydropyran-6-one |
Molecular Mass | 220.650 g·mol−1 |
Heat of Formation | -774.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.44 ± 1.08 D |
Volume | 247.21 Å 3 |
Surface Area | 226.29 Å 2 |
HOMO Energy | -10.51 ± 0.55 eV |
LUMO Energy | 2.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | RFRJSDLXLVSACH-UGSJSWHKSA-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 |