
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2454-11-7 |
| Catalog No. | 2A-9094082 |
| Chinese Name | 甲酰勃龙 |
| Synonyms | Exact Mass 344.19900; PSA 74.60000; LogP 2.58520; Index of Refraction 1.592; InChIKey AMVODTGMYSRMNP-GNIMZFFESA-N; Toxicological Information |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.44500 |
| Purity | 98 |
| Density | 1.24g/cm3 |
| Boiling Point | 543.6ºC at 760mmHg |
| PubChem ID | 8162842 |
| SMILES | CC12C=C(C=O)C(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(C)O |
| InChI | InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1 |
| InChI Key | AMVODTGMYSRMNP-GNIMZFFESA-N |
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