Basic information
- Standard SMILES
CC(C)CS(=O)(=O)c1cccc(C(=O)O)c1- InChIKey
IDHIZYLSNTZQHJ-UHFFFAOYSA-N- Molecular formula
- C11H14O4S
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.0612801
Names & identifiers
- Preferred name
- 3-(2-Methyl-propane-1-sulfonyl)-benzoic acid
- IUPAC
- 3-(2-methylpropylsulfonyl)benzoic acid
Names & synonyms
SCHEMBL5403648IDHIZYLSNTZQHJ-UHFFFAOYSA-N3-(2-Methyl-propane-1-sulfonyl)-benzoic acid
Database identifiers
- PubChem CID
- 22397459
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Related reactions
4 records
Compound notes
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