HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 762169Generated: October 29, 2026
1-(2-Isopropoxybenzoyl)proline
L-Proline, 1-[2-(1-methylethoxy)benzoyl]- · 1-(2-Isopropoxy-benzoyl)-pyrrolidine-2-carboxylic acid
https://huagongshe.com/en/chemical/762169
Identifiers & Physical Properties
| CAS No. | 358674-85-8 |
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| Molecular formula | C15H19NO4 |
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| Average molar mass | 277.31 g/mol |
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| Monoisotopic mass | 277.13140809 g/mol |
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| SMILES | CC(C)Oc1ccccc1C(=O)N1CCC[C@H]1C(=O)O |
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| InChIKey | ASZHYBVNHOCPCG-LBPRGKRZSA-N |
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| PubChem CID | 762169 |
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| DTXSID | DTXSID001281182 |
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Chemical & Physical Properties
| XLogP | 2.3 |
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| Topological polar surface area | 66.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 369 |
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| Boiling point | 485.7±40.0 °C(Predicted) |
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| Density | 1.224±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 5.27±0.20(Predicted) |
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| Hazard class | IRRITANT |
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