Benzenesulfonic acid, 4-methoxy-, ethyl ester
Basic information
- CAS
22017-57-8- Standard SMILES
CCOS(=O)(=O)c1ccc(OC)cc1- InChIKey
LPOCJNUBBCMEGA-UHFFFAOYSA-N- Molecular formula
- C9H12O4S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.04563003
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-methoxy-, ethyl ester
- IUPAC
- ethyl 4-methoxybenzenesulfonate
Names & synonyms
Benzenesulfonic acid, 4-methoxy-, ethyl ester22017-57-8DTXSID60176472RefChem:325577DTXCID1098963ethyl 4-methoxybenzene-1-sulfonateSCHEMBL1607330SCHEMBL25280000
Database identifiers
- CAS
22017-57-8- PubChem CID
- 168014
- DTXSID
DTXSID60176472- Nikkaji
- J3.660.249J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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