Identifiers & Physical Properties
| CAS No. | 4657-33-4 |
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| Molecular formula | C14H18O4 |
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| Average molar mass | 250.29 g/mol |
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| SMILES | CCCCOC(=O)/C=C/c1ccc(O)c(OC)c1 |
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| InChIKey | JTQRZRRDNZAHMH-SOFGYWHQSA-N |
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| PubChem CID | 6437331 |
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| ChEMBL | CHEMBL2088766 |
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| EC No. | 225-100-3 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 55.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 275 |
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Safety & Regulations
| Regulatory information | Chemical: 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, butyl ester |
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| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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