(12S)-12-Hydroxy-16-Heptadecynoic Acid

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Properties Simple | Detailed

Formula C17H30O3
IUPAC Name (12s)-12-hydroxyheptadec-16-ynoic acid
Molecular Mass 282.418 g·mol−1
Heat of Formation -626.4 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 356.2 Å 3
Surface Area 341.44 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (12s)-12-hydroxyheptadec-16-ynoic acid
  • 12s-hydroxy-16-heptadecynoic acid
  • lmfa01050146
InChIKey HBFCVDJQUPEEIC-MRXNPFEDSA-N
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Elements H C O