(2S)-2-Propyl-4-Pentynoic Acid

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Properties Simple | Detailed

Formula C8H12O2
IUPAC Name (2s)-2-propylpent-4-ynoic acid
Molecular Mass 140.180 g·mol−1
Heat of Formation -257.5 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 186.21 Å 3
Surface Area 185.45 Å 2
HOMO Energy -10.85 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-(-)-2-propyl-4-pentynoic acid
  • (s)-2-n-propyl-4-pentynoic acid
  • (s)-4-yn-vpa
  • 4-pentynoic acid, 2-propyl-, (2s)-
  • s(-)-4-yn-valproic acid
  • s-2-n-propyl-4-pentynoic acid
CAS Number(s)
  • 136378-14-8
InChIKey KWBNQXQUIZBELR-SSDOTTSWSA-N
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Elements H C O