HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5354792Generated: November 3, 2026
(E)-3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
https://huagongshe.com/en/chemical/5354792
Identifiers & Physical Properties
| CAS No. | 5443-41-4 |
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| Molecular formula | C12H15NO4 |
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| Average molar mass | 237.25 g/mol |
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| Monoisotopic mass | 237.10010796 g/mol |
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| SMILES | CCOC(=O)c1c(C)[nH]c(C)c1/C=C/C(=O)O |
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| InChIKey | WCLGMNCYFCZZDZ-AATRIKPKSA-N |
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| PubChem CID | 5354792 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 79.4 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 326 |
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