4-[(1E)-2-(8,8-Dimethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)-1-Propen-1-Yl]Benzoic Acid

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Properties Simple | Detailed

Formula C22H24O2
IUPAC Name 4-[(e)-2-(4,4-dimethyltetralin-6-yl)prop-1-enyl]benzoic acid
Molecular Mass 320.425 g·mol−1
Heat of Formation -293.7 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 409.29 Å 3
Surface Area 358.27 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(2-(5,6,7,8-tetrahydro-8,8-dimethyl-2-naphthalenyl)-1-propenyl)benzoic acid
  • 4-[(e)-2-(4,4-dimethyl-6-tetralinyl)prop-1-enyl]benzoic acid
  • 4-[(e)-2-(4,4-dimethyltetralin-6-yl)prop-1-enyl]benzoic acid
  • 4-[(e)-2-(8,8-dimethyl-6,7-dihydro-5h-naphthalen-2-yl)prop-1-enyl]benzoic acid
  • benzoic acid, 4-(2-(5,6,7,8-tetrahydro-8,8-dimethyl-2-naphthalenyl)-1-propenyl)-, (e)-
  • ro 40-3229
  • smr 6
CAS Number(s)
  • 89315-18-4
InChIKey KZFIKZMCPAIKBF-FYWRMAATSA-N
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