HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71317841Generated: October 28, 2026
3,3-Dimethyl-1-(3-phenylpropoxy)-1-(1H-1,2,4-triazol-1-yl)butan-2-one
https://huagongshe.com/en/chemical/71317841
Identifiers & Physical Properties
| CAS No. | 88427-42-3 |
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| Molecular formula | C17H23N3O2 |
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| Average molar mass | 301.4 g/mol |
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| Monoisotopic mass | 301.17902698 g/mol |
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| SMILES | CC(C)(C)C(=O)C(OCCCc1ccccc1)n1cncn1 |
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| InChIKey | AHZSAZKFLPXQKV-UHFFFAOYSA-N |
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| PubChem CID | 71317841 |
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| DTXSID | DTXSID70748088 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 57 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 348 |
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