6-Hydroxy-3,4,5-Trimethyl-8-Oxo-4,8-Dihydro-3H-Isochromene-7-Carboxylic Acid

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Properties Simple | Detailed

Formula C13H14O5
IUPAC Name (3r,4s)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
Molecular Mass 250.247 g·mol−1
Heat of Formation -816.8 ± 16.7 kJ·mol−1
Dipole Moment 9.50 ± 1.08 D
Volume 286.18 Å 3
Surface Area 254.25 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey CBGDIJWINPWWJW-IYSWYEEDSA-N
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Elements H C O