7-Chloro-2,3-Heptadien-5-Yn-1-Ol

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Properties Simple | Detailed

Formula C7H7ClO
IUPAC Name 7-chlorohepta-2,3-dien-5-yn-1-ol
Molecular Mass 142.583 g·mol−1
Heat of Formation 140.1 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 175.99 Å 3
Surface Area 186.75 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-heptadien-5-yn-1-ol, 7-chloro-, (r)-
  • scorodonin
CAS Number(s)
  • 74660-77-8
InChIKey BRBJAAXWYUMXBE-UHFFFAOYSA-N
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Elements H C O Cl