(4As,8Ar)-Octahydro-3H-Isochromen-3-One

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Properties Simple | Detailed

Formula C9H14O2
IUPAC Name (4as,8ar)-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
Molecular Mass 154.206 g·mol−1
Heat of Formation -438.2 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 193.93 Å 3
Surface Area 184.1 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey AYMWCZFEDLLHMI-YUMQZZPRSA-N
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