Ethyl 2,6,6-Trimethyl-1,3-Cyclohexadiene-1-Carboxylate

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Properties Simple | Detailed

Formula C12H18O2
IUPAC Name ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
Molecular Mass 194.270 g·mol−1
Heat of Formation -394.1 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 263.41 Å 3
Surface Area 236.29 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
  • 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester
  • 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylic acid ethyl ester
  • ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate
  • ethyl safranate
CAS Number(s)
  • 35044-59-8
InChIKey KYEZYLFPHRVFBF-UHFFFAOYSA-N
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