Identifiers & Physical Properties
| CAS No. | 18153-10-1 |
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| Molecular formula | C8H9NO3 |
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| Average molar mass | 167.16 g/mol |
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| SMILES | O=C1NC(=O)C2C3CCC(O3)C12 |
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| InChIKey | VKWSKNKAHKHDRI-UHFFFAOYSA-N |
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| PubChem CID | 239727 |
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| EC No. | 663-022-5 |
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| DTXSID | DTXSID30939450 |
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Chemical & Physical Properties
| XLogP | -0.7 |
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| Topological polar surface area | 55.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 249 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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