Ainigmaptilone A
Properties
| Property | Value |
|---|---|
| Formula | C15H22O2 |
| IUPAC Name | (1s,4as,7r,8ar)-4a-(hydroxymethyl)-7-isopropenyl-1-methyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one |
| Molecular Mass | 234.334 g·mol−1 |
| Heat of Formation | -346.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.37 ± 1.08 D |
| Volume | 305.43 Å 3 |
| Surface Area | 253.69 Å 2 |
| HOMO Energy | -9.82 ± 0.55 eV |
| LUMO Energy | -0.29 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | YTUPFINPNGTNSF-KYEXWDHISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |