[(3S)-10-Hydroxy-1-Methyl-9-Oxo-4,9-Dihydro-3H-Benzo[G]Isochromen-3-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name 2-[(3s)-9-hydroxy-1-methyl-10-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetic acid
Molecular Mass 286.279 g·mol−1
Heat of Formation -797.3 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 315.27 Å 3
Surface Area 288.95 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-dnpa
  • 2-[(3s)-10-hydroxy-1-methyl-9-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetic acid
  • 2-[(3s)-10-hydroxy-1-methyl-9-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]ethanoic acid
  • 2-[(3s)-10-hydroxy-9-keto-1-methyl-3,4-dihydrobenzo[g]isochromen-3-yl]acetic acid
  • 4-dihydro-9-hydroxy-1-methyl-10-oxo-3-h-naphtho[2,3-c]pyran-3-aceticacid
InChIKey YFRUSKASGPDFBR-NSHDSACASA-N
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