Identifiers & Physical Properties
| CAS No. | 3017268-21-9 |
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| Molecular formula | C8H10O2 |
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| Average molar mass | 138.16 g/mol |
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| Monoisotopic mass | 138.06807956 g/mol |
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| SMILES | C#CC1(CC(=O)OC)CC1 |
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| InChIKey | WSGZLFLQDNVHHV-UHFFFAOYSA-N |
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| PubChem CID | 176187899 |
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| EC No. | 178-057-7 |
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Chemical & Physical Properties
| XLogP | 1.3 |
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| Topological polar surface area | 26.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 193 |
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Safety & Regulations
| GHS classification | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 | Flam. Liq. 3 (100%) |
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