(1R,2R,4S,5R)-1,4,5-Trihydroxy-2-Methyl-3-Oxocyclohexanecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C8H12O6 |
IUPAC Name | (1r,2r,4s,5r)-1,4,5-trihydroxy-2-methyl-3-oxo-cyclohexanecarboxylic acid |
Molecular Mass | 204.177 g·mol−1 |
Heat of Formation | -1147.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.41 ± 1.08 D |
Volume | 224.36 Å 3 |
Surface Area | 203.8 Å 2 |
HOMO Energy | -10.51 ± 0.55 eV |
LUMO Energy | 3.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | YHBCRPWBCJOXAZ-MIZGGHSWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |