Basic information
- CAS
106872-72-4- Standard SMILES
Cc1cc(S(=O)(=O)O)cc(C(C)(C)C)c1O- InChIKey
HRFNCMWDXIEAJA-UHFFFAOYSA-N- Molecular formula
- C11H16O4S
- Average molar mass
- 244.31 g/mol
- Monoisotopic mass
- 244.07693016
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-
- IUPAC
- 3-tert-butyl-4-hydroxy-5-methylbenzenesulfonic acid
Names & synonyms
106872-72-4Benzenesulfonic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-SCHEMBL12212827DTXSID203289703-tert-Butyl-4-hydroxy-5-methylbenzene-1-sulfonic acid
Database identifiers
- CAS
106872-72-4- PubChem CID
- 415963
- DTXSID
DTXSID20328970
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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