識別子と物理属性
| CAS No. | 203-64-5 |
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| 分子式 | C15H10 |
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| 平均分子量 | 190.24 g/mol |
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| 単同位体質量 | 190.07825032 g/mol |
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| SMILES | c1cc2c3c(c1)ccc1cccc(c13)C2 |
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| InChIKey | RKZDZWJDQTZDLD-UHFFFAOYSA-N |
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| PubChem CID | 9147 |
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| ChEMBL | CHEMBL1491899 |
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| EC No. | 205-905-6 |
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| DTXSID | DTXSID1024887 |
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化学・物理的性質
| XLogP | 4.4 |
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| 極性表面積 | 0 |
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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 | 0 |
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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 | 231 |
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| Kovats Retention Index | 187918871888322.1322.31864.281876.1818751936318.6322.18325.73321.96322.08319.1322.64319.5322.42 |
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| 融点 | 114 °C |
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| 沸点 | 353 °C |
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| 密度 | 1.257±0.06 g/cm3(Predicted) |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 3 of 3 reports by companies.There are 0 notifications provided by 0 of 3 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Not Classified |
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