(4S,7R,7Ar,9Ar)-4-(Chloromethyl)-4-Hydroxy-6,7-Dimethyl-3-Oxo-1,3,4,7,7A,9A-Hexahydropentaleno[1,6A-C]Pyran-9-Carboxylic Acid

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Formula C15H17ClO5
IUPAC Name (1s,4ar,6ar,7r,9as)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
Molecular Mass 312.745 g·mol−1
Heat of Formation -875.9 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 342.42 Å 3
Surface Area 284.42 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey JIBVJJZCSYJNBC-ULEBWITMSA-N
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Elements H C O Cl