Identifiers & Physical Properties
| CAS No. | 4480-50-6 |
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| Molecular formula | C7H10O |
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| Average molar mass | 110.15 g/mol |
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| Monoisotopic mass | 110.07316494 g/mol |
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| SMILES | C#CCC(O)C1CC1 |
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| InChIKey | WMGKDAXGWRRUHT-UHFFFAOYSA-N |
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| PubChem CID | 12820045 |
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| EC No. | 970-484-4 |
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Chemical & Physical Properties
| XLogP | 0.9 |
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| Topological polar surface area | 20.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 8 |
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| Formal charge | 0 |
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| Complexity | 116 |
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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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