Basic information
- Standard SMILES
CCS(=O)(=O)Cc1ccc(C(=O)O)cc1- InChIKey
VFWFAFAXVZZTBX-UHFFFAOYSA-N- Molecular formula
- C10H12O4S
- Average molar mass
- 228.27 g/mol
Names & identifiers
- Preferred name
- 4-(Ethylsulfonylmethyl)benzoic acid
- IUPAC
- 4-(ethylsulfonylmethyl)benzoic acid
Names & synonyms
4-(ethylsulfonylmethyl)benzoic acid879088-43-44-Ethanesulfonylmethylbenzoic acidSCHEMBL1018823VFWFAFAXVZZTBX-UHFFFAOYSA-N4-Ethanesulfonylmethyl-benzoic acidA1-04178
Database identifiers
- PubChem CID
- 43444445
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Related reactions
4 records
Compound notes
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