HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5284464Generated: November 1, 2026
ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (2E)-but-2-enedioate
https://huagongshe.com/en/chemical/5284464
Identifiers & Physical Properties
| CAS No. | 55567-81-2 |
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| Molecular formula | C21H27NO6 |
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| Average molar mass | 389.4 g/mol |
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| Monoisotopic mass | 389.18383758 g/mol |
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| SMILES | CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1N(C)C.O=C(O)/C=C/C(=O)O |
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| InChIKey | PMBFJKOESQBPHB-RMLXEDMZSA-N |
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| PubChem CID | 5284464 |
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| DTXSID | DTXSID4021349 |
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Chemical & Physical Properties
| Topological polar surface area | 104 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 477 |
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