(1R,3S)-3-(4-Methoxybenzoyl)-1,2,2-Trimethylcyclopentanecarboxylic Acid

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Properties Simple | Detailed

Formula C17H22O4
IUPAC Name (1r,3s)-3-(4-methoxybenzoyl)-1,2,2-trimethyl-cyclopentanecarboxylic acid
Molecular Mass 290.354 g·mol−1
Heat of Formation -725.8 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 359.44 Å 3
Surface Area 299.03 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-3-(4-methoxybenzoyl)-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
  • (1r,3s)-3-(4-methoxybenzoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
  • (1r,3s)-3-(4-methoxyphenyl)carbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
  • (1r,3s)-3-[(4-methoxyphenyl)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid
  • cis-(+-)-3-(4-methoxybenzoyl)-1,2,2-trimethylcyclopentanecarboxylic acid
  • cyclopentanecarboxylic acid, 3-(4-methoxybenzoyl)-1,2,2-trimethyl-, cis-(+-)-
CAS Number(s)
  • 57129-25-6
InChIKey JZMUCLZEZUFWDA-DYVFJYSZSA-N
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