(1S,3R,4S)-1,6,8-Trihydroxy-3,4,5-Trimethyl-3,4-Dihydro-1H-Isochromene-7-Carboxylic Acid
Properties
Property | Value |
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Formula | C13H16O6 |
IUPAC Name | (1s,3r,4s)-1,6,8-trihydroxy-3,4,5-trimethyl-isochromane-7-carboxylic acid |
Molecular Mass | 268.263 g·mol−1 |
Heat of Formation | -1128.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.33 ± 1.08 D |
Volume | 300.47 Å 3 |
Surface Area | 263.44 Å 2 |
HOMO Energy | -9.29 ± 0.55 eV |
LUMO Energy | -0.45 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | MBTAFMZUDOUGPS-CGKQSRJASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |