HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57719608Generated: October 27, 2026
Dimethyl 2-(3-{[(4-toluidinocarbonyl)oxy]methyl}benzyl)malonate
https://huagongshe.com/en/chemical/57719608
Identifiers & Physical Properties
| Molecular formula | C21H23NO6 |
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| Average molar mass | 385.4 g/mol |
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| Monoisotopic mass | 385.15253745 g/mol |
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| SMILES | COC(=O)C(Cc1cccc(COC(=O)Nc2ccc(C)cc2)c1)C(=O)OC |
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| InChIKey | CKLHQNJIOGZULJ-UHFFFAOYSA-N |
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| PubChem CID | 57719608 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 90.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 513 |
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![Dimethyl 2-(3-{[(4-toluidinocarbonyl)oxy]methyl}benzyl)malonate molecular structure](/img/chemical/57719608.png)