(2R,4A'R,7A'S,9A'R)-6',6'-Dimethyl-3'-Oxo-1',5',6',7',7A',9A'-Hexahydrospiro[Oxirane-2,4'-Pentaleno[1,6A-C]Pyran]-9'-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H18O5
IUPAC Name (1r,4ar,6as,9ar)-8,8-dimethyl-2-oxo-spiro[4a,6a,7,9-tetrahydro-4h-pentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
Molecular Mass 278.300 g·mol−1
Heat of Formation -752.2 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 324.89 Å 3
Surface Area 266.17 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey UUDKOVSZNMZKND-BDAURDKOSA-N
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