[(1S,2S,3A'S,5R,7A'R)-6',7A'-Dimethyl-3-Oxo-1',3',3A',7A'-Tetrahydrospiro[4,6-Dioxabicyclo[3.1.0]Hexane-2,2'-Inden]-4'-Yl]Methyl Acetate

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Properties Simple | Detailed

Formula C17H20O5
IUPAC Name [(1's,2s,3as,5'r,7ar)-6,7a-dimethyl-3'-oxo-spiro[3,3a-dihydro-1h-indene-2,2'-4,6-dioxabicyclo[3.1.0]hexane]-4-yl]methyl acetate
Molecular Mass 304.338 g·mol−1
Heat of Formation -678.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 362.19 Å 3
Surface Area 305.58 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
InChIKey CASYRJOEEQJNGF-VJDWVQAOSA-N
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Elements H C O