(1S,5R,7S,8R,9R)-8,9-Dihydroxy-7-Phenyl-2,6-Dioxabicyclo[3.3.1]Nonan-3-One
Properties
Property | Value |
---|---|
Formula | C13H14O5 |
IUPAC Name | (1r,3r,4r,5s,9r)-4,9-dihydroxy-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-7-one |
Molecular Mass | 250.247 g·mol−1 |
Heat of Formation | -787.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.86 ± 1.08 D |
Volume | 276.27 Å 3 |
Surface Area | 244.33 Å 2 |
HOMO Energy | -9.69 ± 0.55 eV |
LUMO Energy | 3.06 ± eV |
Point Group Symmetry | C1 |
InChIKey | XIHDWURQMYWEBZ-WECGXBHGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |