Identifikatoren & physikalische Daten
| CAS No. | 103-26-4 |
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| Summenformel | C10H10O2 |
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| Durchschnittliche Molmasse | 162,18 g/mol |
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| Monoisotopische Masse | 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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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 167 |
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| SpringerMaterials Properties | Boiling point |
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| LogP (Verteilungskoeffizient) | 2.62 |
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| Physical Description | Liquid |
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Sicherheit & Vorschriften
| Regulatorische Informationen | 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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| Weitere Sicherheitsinformationen | IMAP assessments - 2-Propenoic acid, 3-phenyl-, methyl ester: Human health tier I assessment |
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