HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 42413Generated: November 3, 2026
Isoquinoline, 1-benzyl-6,7-dimethoxy-, methanesulfonate
https://huagongshe.com/en/chemical/42413
Identifiers & Physical Properties
| CAS No. | 57542-92-4 |
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| Molecular formula | C19H21NO5S |
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| Average molar mass | 375.4 g/mol |
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| Monoisotopic mass | 375.11404394 g/mol |
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| SMILES | COc1cc2cc[nH+]c(Cc3ccccc3)c2cc1OC.CS(=O)(=O)[O-] |
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| InChIKey | BAMQRFNKZKQHST-UHFFFAOYSA-N |
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| PubChem CID | 42413 |
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Chemical & Physical Properties
| Topological polar surface area | 98.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 396 |
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