식별자 및 물리적 특성
| CAS No. | 103-26-4 |
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| 분자식 | C10H10O2 |
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| 평균 분자량 | 162.18 g/mol |
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| 단동위원소 질량 | 162.06807956 g/mol |
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| SMILES | COC(=O)C=Cc1ccccc1 |
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| InChIKey | CCRCUPLGCSFEDV-UHFFFAOYSA-N |
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| PubChem CID | 7644 |
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| ChEMBL | CHEMBL3560502 |
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| DTXSID | DTXSID6042151 |
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화학 및 물리적 성질
| XLogP | 2.6 |
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| 극성 표면적 | 26.3 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 3 |
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| 무거운 원자 수 | 12 |
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| 형식 전하 | 0 |
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| 복잡도 | 167 |
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| SpringerMaterials Properties | Boiling point |
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| LogP(분배 계수) | 2.62 |
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| Physical Description | Liquid |
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안전 및 규제
| 규제 정보 | Chemical: 2-Propenoic acid, 3-phenyl-, methyl ester2-Propenoic acid, 3-phenyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-phenyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)2-Propenoic acid, 3-phenyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - 2-Propenoic acid, 3-phenyl-, methyl ester: Human health tier I assessment |
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