标识与物理属性
| CAS No. | 1520648-96-7 |
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| 分子式 | C7H10O2S |
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| 平均分子量 | 158.22 g/mol |
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| 单同位素质量 | 158.04015073 g/mol |
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| SMILES | O=C(O)C1CC2(CSC2)C1 |
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| InChIKey | GJOUBVCEOZPSNZ-UHFFFAOYSA-N |
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| PubChem CID | 83480098 |
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| EC No. | 865-259-1 |
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化学与物理性质
| XLogP | 0.8 |
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| 极性表面积 | 62.6 |
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| 氢键供体 | 1 |
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| 氢键受体 | 3 |
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| 可旋转键 | 1 |
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| 重原子 | 10 |
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| 形式电荷 | 0 |
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| 复杂度 | 166 |
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安全与法规
| GHS 分类 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
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![2-Thiaspiro[3.3]heptane-6-carboxylic acid 分子结构式](/img/chemical/83480098.png)