Benzenesulfonic acid, 4-methoxy-, 1-methylethyl ester
Basic information
- CAS
91284-48-9- Standard SMILES
COc1ccc(S(=O)(=O)OC(C)C)cc1- InChIKey
VOCATHRYKGAGDJ-UHFFFAOYSA-N- Molecular formula
- C10H14O4S
- Average molar mass
- 230.28 g/mol
- Monoisotopic mass
- 230.0612801
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-methoxy-, 1-methylethyl ester
- IUPAC
- propan-2-yl 4-methoxybenzenesulfonate
Names & synonyms
1-Methylethyl 4-methoxybenzenesulfonateBenzenesulfonic acid, 4-methoxy-, 1-methylethyl ester91284-48-9DTXSID80238480RefChem:325575DTXCID00160971propan-2-yl 4-methoxybenzene-1-sulfonateSCHEMBL14114776
Database identifiers
- CAS
91284-48-9- PubChem CID
- 150338
- DTXSID
DTXSID80238480- Nikkaji
- J3.660.252J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
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Related reactions
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Compound notes
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