Identifiers & Physical Properties
| CAS No. | 89098-99-7 |
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| Molecular formula | C8H9NO3 |
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| Average molar mass | 167.16 g/mol |
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| Monoisotopic mass | 167.05824315 g/mol |
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| SMILES | CC(=O)OCc1ccc(O)cn1 |
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| InChIKey | FKTBWZBMDDDJRX-UHFFFAOYSA-N |
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| PubChem CID | 13250412 |
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| EC No. | 864-405-1 |
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Chemical & Physical Properties
| XLogP | 0.2 |
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| Topological polar surface area | 59.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 160 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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