6,8-Dihydroxy-3-[(5E,8S)-8-Hydroxy-5-Nonen-1-Yl]-1H-Isochromen-1-One
Properties
Property | Value |
---|---|
Formula | C18H22O5 |
IUPAC Name | 6,8-dihydroxy-3-[(e,8s)-8-hydroxynon-5-enyl]isochromen-1-one |
Molecular Mass | 318.364 g·mol−1 |
Heat of Formation | -877.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.62 ± 1.08 D |
Volume | 388.44 Å 3 |
Surface Area | 322.81 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | -0.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | MIICTKRWRNNLEI-PYEVWLCESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |