2-Benzyl-4,6-dimethylbenzenesulfonic acid
Basic information
- CAS
19202-43-8- Standard SMILES
Cc1cc(C)c(S(=O)(=O)O)c(Cc2ccccc2)c1- InChIKey
PACDQWFBTMAARY-UHFFFAOYSA-N- Molecular formula
- C15H16O3S
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.08201554
Names & identifiers
- Preferred name
- 2-Benzyl-4,6-dimethylbenzenesulfonic acid
- IUPAC
- 2-benzyl-4,6-dimethylbenzenesulfonic acid
Names & synonyms
19202-43-82-benzyl-4,6-dimethylbenzenesulfonic acidNSC403307DTXSID00323185NSC-4033072-Benzyl-4,6-dimethylbenzene-1-sulfonic acid
Database identifiers
- CAS
19202-43-8- PubChem CID
- 345601
- DTXSID
DTXSID00323185
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
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Compound notes
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