(2S)-2-(3,8-Dimethyl-5-Azulenyl)Propanoic Acid

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Properties Simple | Detailed

Formula C15H16O2
IUPAC Name (2s)-2-(3,8-dimethylazulen-5-yl)propanoic acid
Molecular Mass 228.286 g·mol−1
Heat of Formation -160.1 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 286.23 Å 3
Surface Area 260.02 Å 2
HOMO Energy -7.99 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(3,8-dimethylazulen-5-yl)propanoic acid
  • (2s)-2-(3,8-dimethylazulen-5-yl)propionic acid
  • 5-azuleneacetic acid, alpha,3,8-trimethyl-
  • chamazulenecarboxylic acid
CAS Number(s)
  • 489-87-2
InChIKey VEHBLYQIKWPOQM-NSHDSACASA-N
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