Identifiers & Physical Properties
| CAS No. | 5387-19-9 |
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| Molecular formula | C12H12O |
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| Average molar mass | 172.22 g/mol |
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| Monoisotopic mass | 172.088815 g/mol |
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| SMILES | O=C1c2ccccc2C2CCC1C2 |
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| InChIKey | IBFUSCJVVKLKGK-UHFFFAOYSA-N |
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| PubChem CID | 15744442 |
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| EC No. | 987-654-9 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 17.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 233 |
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| SpringerMaterials Properties | Optical coefficient |
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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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