識別子と物理属性
| CAS No. | 37567-35-4 |
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| 分子式 | C13H8N2O7 |
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| 平均分子量 | 304.21 g/mol |
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| 単同位体質量 | 304.0331506 g/mol |
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| SMILES | O=C(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1 |
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| InChIKey | AABHPMAMDHAYRG-UHFFFAOYSA-N |
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| PubChem CID | 391007 |
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| ChEMBL | CHEMBL1968507 |
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| EC No. | 636-435-3 |
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化学・物理的性質
| XLogP | 3.3 |
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| 極性表面積 | 149 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 7 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 22 |
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| 形式電荷 | 0 |
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| 複雑度 | 418 |
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安全性と法規制
| GHS 分類 | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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