識別子と物理属性
| CAS No. | 72934-84-0 |
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| 分子式 | C12H13NO2 |
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| 平均分子量 | 203.24 g/mol |
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| SMILES | CC(=O)N1C(=O)C(C)(C)c2ccccc21 |
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| InChIKey | WSBBBRWBBKHEFG-UHFFFAOYSA-N |
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| PubChem CID | 853607 |
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| EC No. | 684-786-6 |
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化学・物理的性質
| XLogP | 1.7 |
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| 極性表面積 | 37.4 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 2 |
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| 回転可能結合数 | 0 |
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| 重原子数 | 15 |
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| 形式電荷 | 0 |
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| 複雑度 | 309 |
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安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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