HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 9928362Generated: October 28, 2026
4-(5-Methoxymethyl-5-methyl-2,3,4,5-tetrahydrobenzo[b]oxepin-8-ylethynyl)-benzoic acid
https://huagongshe.com/en/chemical/9928362
Identifiers & Physical Properties
| Molecular formula | C22H22O4 |
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| Average molar mass | 350.4 g/mol |
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| Monoisotopic mass | 350.15180918 g/mol |
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| SMILES | COCC1(C)CCCOc2cc(C#Cc3ccc(C(=O)O)cc3)ccc21 |
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| InChIKey | ZPBNZNPZTIKWIQ-UHFFFAOYSA-N |
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| PubChem CID | 9928362 |
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Chemical & Physical Properties
| XLogP | 4.4 |
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| Topological polar surface area | 55.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 551 |
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![4-(5-Methoxymethyl-5-methyl-2,3,4,5-tetrahydrobenzo[b]oxepin-8-ylethynyl)-benzoic acid molecular structure](/img/chemical/9928362.png)