HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123734604Generated: November 4, 2026
3-(2-Cyanobuta-1,3-dienyl)-2,2-dimethylcyclopropane-1-carboxylic acid
https://huagongshe.com/en/chemical/123734604
Identifiers & Physical Properties
| Molecular formula | C11H13NO2 |
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| Average molar mass | 191.23 g/mol |
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| Monoisotopic mass | 191.09462866 g/mol |
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| SMILES | C=CC(C#N)=CC1C(C(=O)O)C1(C)C |
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| InChIKey | ZUFLZCGDNARXLF-UHFFFAOYSA-N |
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| PubChem CID | 123734604 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 61.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 357 |
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