(2R,3S,5R,6R)-3-[(1E,3E)-1,3-Heptadien-1-Yl]-5,6-Dihydroxy-2-(Hydroxymethyl)Cyclohexanone
Properties
Property | Value |
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Formula | C14H22O4 |
IUPAC Name | (2r,3r,5s,6r)-5-[(1e,3e)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexanone |
Molecular Mass | 254.322 g·mol−1 |
Heat of Formation | -738.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.27 ± 1.08 D |
Volume | 327.07 Å 3 |
Surface Area | 300.58 Å 2 |
HOMO Energy | -9.45 ± 0.55 eV |
LUMO Energy | -0.25 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | MPOXQBRZHHNMER-XZQMCIKJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |