HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 80913Generated: October 31, 2026
3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium
https://huagongshe.com/en/chemical/80913
Identifiers & Physical Properties
| CAS No. | 1391193-53-5 |
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| Molecular formula | C23H20NO4+ |
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| Average molar mass | 374.4 g/mol |
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| Monoisotopic mass | 374.13923312 g/mol |
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| SMILES | COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(O)ccc12 |
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| InChIKey | RZELENUVHIICLJ-UHFFFAOYSA-O |
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| PubChem CID | 80913 |
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| DTXSID | DTXSID701384931 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 58.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 28 |
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| Formal charge | 1 |
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| Complexity | 771 |
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![3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium molecular structure](/img/chemical/80913.png)