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

Molecule SVG Image

Properties Simple | Detailed

Formula C17H22O4
IUPAC Name (1s,3r)-3-(4-methoxybenzoyl)-1,2,2-trimethyl-cyclopentanecarboxylic acid
Molecular Mass 290.354 g·mol−1
Heat of Formation -725.3 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 359.03 Å 3
Surface Area 298.73 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r)-3-(4-methoxybenzoyl)-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
  • (1s,3r)-3-(4-methoxyphenyl)carbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
  • (1s,3r)-3-[(4-methoxyphenyl)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid
  • 4-anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)
  • para-anisoyl-3-(1,2,2-trimethyl-cyclopentane carboxylic acid)
  • patc
CAS Number(s)
  • 82801-37-4
InChIKey JZMUCLZEZUFWDA-SUMWQHHRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O