(1S,3S)-3-[(1E)-2-Carboxy-1-Propen-1-Yl]-2,2-Dimethylcyclopropanecarboxylic Acid

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Properties Simple | Detailed

Formula C10H14O4
IUPAC Name (1s,3s)-3-[(e)-2-carboxyprop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid
Molecular Mass 198.216 g·mol−1
Heat of Formation -723.2 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 247.77 Å 3
Surface Area 227.6 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(1-alpha,3-beta(e))-3-(2-carboxy-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid
  • (1s,3s)-3-[(e)-3-hydroxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid
  • (1s,3s)-3-[(e)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid
  • (1s,3s)-3-[(e)-3-hydroxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
  • (1s,3s)-3-[(e)-3-hydroxy-3-keto-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid
  • cyclopropanecarboxylic acid, 3-(2-carboxy-1-propenyl)-2,2-dimethyl-, (1-alpha,3-
  • cyclopropanecarboxylic acid, 3-(2-carboxy-1-propenyl)-2,2-dimethyl-, (1-alpha,3-beta(e))-(+)-
CAS Number(s)
  • 33383-55-0
InChIKey XXTFGUFRXPWYDA-LYNIJRAASA-N
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