(3E)-3-Hepten-2-One

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Properties Simple | Detailed

Formula C7H12O
IUPAC Name (e)-hept-3-en-2-one
Molecular Mass 112.170 g·mol−1
Heat of Formation -211.2 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 164.36 Å 3
Surface Area 174.89 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-hept-3-en-2-one
  • 3-hepten-2-one
  • 3-hepten-2-one, (e)-
  • butylideneacetone
  • hept-3-en-2-one
  • methyl pentenyl ketone
CAS Number(s)
  • 1119-44-4
InChIKey JHHZQADGLDKIPM-AATRIKPKSA-N
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