[(3S)-9-Hydroxy-1-Methyl-10-Oxo-4,10-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 -797.1 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 316.65 Å 3
Surface Area 289.37 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey HHXSOTFPYPQSBU-NSHDSACASA-N
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Elements H C O