3-Butyl-7-(2,4-Dihydroxy-6-Pentylphenoxy)-3-Hydroxy-5-Methoxy-2-Benzofuran-1(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H30O7
IUPAC Name (3s)-3-butyl-7-(2,4-dihydroxy-6-pentyl-phenoxy)-3-hydroxy-5-methoxy-isobenzofuran-1-one
Molecular Mass 430.491 g·mol−1
Heat of Formation -1204.7 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 524.72 Å 3
Surface Area 428.59 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey PDZXHKSZUJKQQU-DEOSSOPVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O