[6-Hydroxy-7-(methoxycarbonyl)naphthalen-2-yl]methanesulfonic acid
Basic information
- CAS
91903-84-3- Standard SMILES
COC(=O)c1cc2cc(CS(=O)(=O)O)ccc2cc1O- InChIKey
XHAQYUPHCJEHSW-UHFFFAOYSA-N- Molecular formula
- C13H12O6S
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.03545927
Names & identifiers
- Preferred name
- [6-Hydroxy-7-(methoxycarbonyl)naphthalen-2-yl]methanesulfonic acid
- IUPAC
- (6-hydroxy-7-methoxycarbonylnaphthalen-2-yl)methanesulfonic acid
Names & synonyms
91903-84-3[6-hydroxy-7-(methoxycarbonyl)naphthalen-2-yl]methanesulfonic acid(6-Hydroxy-7-(methoxycarbonyl)naphthalen-2-yl)methanesulfonic acidNSC46505DTXSID60286565NSC-46505DS-0042872-Naphthalenecarboxylicacid, 3-hydroxy-7-(sulfomethyl)-, 2-methyl ester
Database identifiers
- CAS
91903-84-3- PubChem CID
- 240362
- DTXSID
DTXSID60286565
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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