Identifiers & Physical Properties
| CAS No. | 136030-00-7 |
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| Molecular formula | C9H11NO |
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| Average molar mass | 149.19 g/mol |
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| SMILES | N[C@@H]1c2ccccc2C[C@@H]1O |
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| InChIKey | LOPKSXMQWBYUOI-DTWKUNHWSA-N |
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| PubChem CID | 2725045 |
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| ChEMBL | CHEMBL4546964 |
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| EC No. | 422-660-2 |
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Chemical & Physical Properties
| XLogP | 0.2 |
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| Topological polar surface area | 46.3 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 148 |
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Safety & Regulations
| GHS classification | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation] |
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| Regulatory information | Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4696 |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Irrit. 2 (95.7%)Eye damage - category 1Eye Dam. 1 |
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