(2R,3R,5Z)-5-Ethylidene-2-Hydroxy-2,3-Dimethylhexanedioic Acid

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Properties Simple | Detailed

Formula C10H16O5
IUPAC Name (2r,3r,5z)-5-ethylidene-2-hydroxy-2,3-dimethyl-hexanedioic acid
Molecular Mass 216.231 g·mol−1
Heat of Formation -1020.1 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 268.33 Å 3
Surface Area 238.91 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,5z)-5-ethylidene-2-hydroxy-2,3-dimethyl-adipic acid
  • (2r,3r,5z)-5-ethylidene-2-hydroxy-2,3-dimethyl-hexanedioic acid
  • necic acid
CAS Number(s)
  • 13588-16-4
  • 31456-19-6
InChIKey CEYWPVCZMDVGLZ-BEPFRFAYSA-N
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