Identifiers & Physical Properties
| CAS No. | 203319-65-7 |
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| Molecular formula | C8H16 |
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| Average molar mass | 112.21 g/mol |
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| Monoisotopic mass | 112.12520051 g/mol |
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| SMILES | C[C@@H]1CCCC[C@H]1C |
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| InChIKey | KVZJLSYJROEPSQ-HTQZYQBOSA-N |
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| PubChem CID | 23313 |
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| ChEBI | CHEBI:188237 |
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| EC No. | 229-979-4 |
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| DTXSID | DTXSID30858753 |
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Chemical & Physical Properties
| XLogP | 3.8 |
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| Topological polar surface area | 0 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 0 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 8 |
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| Formal charge | 0 |
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| Complexity | 56.4 |
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| Lipids | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
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| SpringerMaterials Properties | Optical coefficient |
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Safety & Regulations
| GHS classification | DangerH224 (11.1%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P271, P280, P301+P316, P303+P361+P353, P304+P340, P319, P331, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 1 (11.1%) |
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