(2S)-2-[(3E)-4,8-Dimethyl-3,7-Nonadien-1-Yl]-5-Hydroxy-2,7-Dimethyl-2H-Chromene-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H30O4
IUPAC Name (2s)-2-[(3e)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethyl-chromene-6-carboxylic acid
Molecular Mass 370.482 g·mol−1
Heat of Formation -761.7 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 477.91 Å 3
Surface Area 388.36 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-2-((e)-4,8-dimethyl-nona-3,7-dienyl)-5-hydroxy-2,7-dimethyl-2h-1-benzopyran-6-carboxylic acid
  • daurichromenic acid
InChIKey UYLFTJMQPWWDCW-MVLVPLOLSA-N
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