HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 13190839Generated: November 4, 2026
1-(5-Chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
https://huagongshe.com/en/chemical/13190839
Identifiers & Physical Properties
| CAS No. | 88952-39-0 |
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| Molecular formula | C16H13ClO4 |
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| Average molar mass | 304.72 g/mol |
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| Monoisotopic mass | 304.0502366 g/mol |
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| SMILES | COc1ccc(C(=O)CC(=O)c2cc(Cl)ccc2O)cc1 |
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| InChIKey | ZHCWRMANOHEJDR-UHFFFAOYSA-N |
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| PubChem CID | 13190839 |
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| DTXSID | DTXSID70526040 |
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Chemical & Physical Properties
| XLogP | 3.8 |
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| Topological polar surface area | 63.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 376 |
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