HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5225760Generated: November 4, 2026
(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-2-yl)methyl Benzoate
https://huagongshe.com/en/chemical/5225760
Identifiers & Physical Properties
| CAS No. | 6487-62-3 |
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| Molecular formula | C18H20N2O3 |
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| Average molar mass | 312.4 g/mol |
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| Monoisotopic mass | 312.1473925 g/mol |
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| SMILES | Cc1c2c(nn1COC(=O)c1ccccc1)CC(C)(C)CC2=O |
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| InChIKey | MZCRUUAHCOAGDF-UHFFFAOYSA-N |
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| PubChem CID | 5225760 |
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| DTXSID | DTXSID50983455 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 61.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 23 |
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| Formal charge | 0 |
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| Complexity | 471 |
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