Subersic Acid

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Properties Simple | Detailed

Formula C27H38O3
IUPAC Name 3-[(e)-5-[(4as,8as)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-4-hydroxy-benzoic acid
Molecular Mass 410.589 g·mol−1
Heat of Formation -662.5 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 541.9 Å 3
Surface Area 437.91 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(e)-5-[(4as,8as)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-4-hydroxy-benzoic acid
  • 3-[(e)-5-[(4as,8as)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-4-hydroxybenzoic acid
InChIKey RIYHRKNIDKXDII-UEKCLBEQSA-N
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Elements H C O