HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 94708Generated: November 5, 2026
alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester
https://huagongshe.com/en/chemical/94708
Identifiers & Physical Properties
| CAS No. | 97461-43-3 |
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| Molecular formula | C9H9NO5 |
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| Average molar mass | 211.17 g/mol |
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| Monoisotopic mass | 211.04807239 g/mol |
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| SMILES | COC(=O)C(C)=Cc1ccc([N+](=O)[O-])o1 |
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| InChIKey | JYNVRRQCZATZKK-UHFFFAOYSA-N |
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| PubChem CID | 94708 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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| Topological polar surface area | 85.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 293 |
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