HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 56513Generated: November 3, 2026
Mandelic acid, alpha-(phenylethynyl)-, 1-methyl-4-piperidyl ester
https://huagongshe.com/en/chemical/56513
Identifiers & Physical Properties
| CAS No. | 92957-19-2 |
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| Molecular formula | C22H23NO3 |
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| Average molar mass | 349.4 g/mol |
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| Monoisotopic mass | 349.1677936 g/mol |
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| SMILES | CN1CCC(OC(=O)C(O)(C#Cc2ccccc2)c2ccccc2)CC1 |
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| InChIKey | QPZCIHUWGXRMCU-UHFFFAOYSA-N |
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| PubChem CID | 56513 |
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| DTXSID | DTXSID501384654 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 49.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 528 |
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