(4S)-4-(2-Hydroxy-2-Propanyl)-1-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H16O3
IUPAC Name (4s)-4-(1-hydroxy-1-methyl-ethyl)cyclohexene-1-carboxylic acid
Molecular Mass 184.232 g·mol−1
Heat of Formation -650.7 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 235.26 Å 3
Surface Area 216.78 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-(1-hydroxy-1-methyl-ethyl)cyclohexene-1-carboxylic acid
  • (4s)-4-(1-hydroxy-1-methylethyl)-1-cyclohexenecarboxylic acid
  • (4s)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylic acid
  • oleuropeic acid
CAS Number(s)
  • 5027-76-9
InChIKey BFYWJELXORKNFO-MRVPVSSYSA-N
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DOI
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Elements H C O