Identifiers & Physical Properties
| CAS No. | 1801837-96-6 |
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| Molecular formula | C20H22O5 |
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| Average molar mass | 342.4 g/mol |
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| Monoisotopic mass | 342.1467238 g/mol |
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| SMILES | CC(COC(=O)c1ccccc1)OC(C)COC(=O)c1ccccc1 |
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| InChIKey | CGLQOIMEUPORRI-UHFFFAOYSA-N |
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| PubChem CID | 33713 |
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| EC No. | 998-529-3 |
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| DTXSID | DTXSID801347215 |
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Chemical & Physical Properties
| XLogP | 4 |
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| Topological polar surface area | 61.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 372 |
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Safety & Regulations
| GHS classification | H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Chronic 3 (100%) |
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