3-{5-Methylene-2-Oxo-6-[(1E,3E)-(1,3,5-~13~C_3_)-1,3-Pentadien-1-Yl](3,5-~13~C_2_)-5,6-Dihydro-2H-Pyran-3-Yl}(2-~13~C)Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H16O4 |
| IUPAC Name | 3-[(6r)-5-methylene-2-oxo-6-[(1e,3e)-penta-1,3-dienyl]pyran-3-yl]propanoic acid |
| Molecular Mass | 248.274 g·mol−1 |
| Heat of Formation | -548.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.35 ± 1.08 D |
| Volume | 307.93 Å 3 |
| Surface Area | 292.86 Å 2 |
| HOMO Energy | -9.40 ± 0.55 eV |
| LUMO Energy | -1.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XMBYWWHLSMXSPA-KANVGOIPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |