HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 41002Generated: November 5, 2026
Benzoic acid, 3,4,5-trimethoxy-, 2-((3-chloropropyl)ethylamino)ethyl ester, oxalate
https://huagongshe.com/en/chemical/41002
Identifiers & Physical Properties
| CAS No. | 54112-81-1 |
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| Molecular formula | C19H28ClNO9 |
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| Average molar mass | 449.9 g/mol |
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| Monoisotopic mass | 449.1452592 g/mol |
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| SMILES | CC[NH+](CCCCl)CCOC(=O)c1cc(OC)c(OC)c(OC)c1.O=C([O-])C(=O)O |
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| InChIKey | BZRMPLXAEATOGI-UHFFFAOYSA-N |
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| PubChem CID | 41002 |
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| DTXSID | DTXSID30202459 |
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Chemical & Physical Properties
| Topological polar surface area | 136 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 422 |
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