Trans-3-Methyl-2-Hexenoic Acid

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Properties Simple | Detailed

Formula C7H12O2
IUPAC Name (e)-3-methylhex-2-enoic acid
Molecular Mass 128.169 g·mol−1
Heat of Formation -449.5 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 174.15 Å 3
Surface Area 178.15 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-methylhex-2-enoic acid
  • 2-hexenoic acid, 3-methyl-, (e)-
  • 3-methyl-2-hexenoic acid
CAS Number(s)
  • 27960-21-0
InChIKey NTWSIWWJPQHFTO-AATRIKPKSA-N
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DOI
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