(2R,4A'S,7'R,7A'R,9A'R)-6',7'-Dimethyl-3'-Oxo-1',7',7A',9A'-Tetrahydrospiro[Oxirane-2,4'-Pentaleno[1,6A-C]Pyran]-9'-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H16O5
IUPAC Name (1s,4as,6as,7s,9ar)-7,8-dimethyl-2-oxo-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
Molecular Mass 276.285 g·mol−1
Heat of Formation -658.8 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 318.08 Å 3
Surface Area 267.15 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey NUPNVWUYFVEAIT-LVZBKJTGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O