(1R,6S)-6-(Methoxycarbonyl)-3-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C9H12O4
IUPAC Name (1r,6s)-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
Molecular Mass 184.189 g·mol−1
Heat of Formation -721.7 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 219.45 Å 3
Surface Area 202.38 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,6s)-6-carbomethoxycyclohex-3-ene-1-carboxylic acid
  • (1r,6s)-6-methoxycarbonyl-1-cyclohex-3-enecarboxylic acid
  • (1r,6s)-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
  • (1s,2r)-1-methyl cis-1,2,3,6-tetrahydrophthalate
  • (1s,2r)-1-methyl cis-4-cyclohexene-1,2-dicarboxylate
  • (1s,2r)-cis-4-cyclohexene-1,2-dicarboxylic acid 1-monomethylester
InChIKey MYYLMIDEMAPSGH-RQJHMYQMSA-N
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