Basic information
- Standard SMILES
Cc1ccccc1-c1ccc(C(=O)O)cc1CS(C)(=O)=O- InChIKey
CZBPOLKVBSFCSI-UHFFFAOYSA-N- Molecular formula
- C16H16O4S
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- 2'-Methyl-2-[(methylsulfonyl)methyl]biphenyl-4-carboxylic acid
- IUPAC
- 4-(2-methylphenyl)-3-(methylsulfonylmethyl)benzoic acid
Names & synonyms
SCHEMBL2773165CZBPOLKVBSFCSI-UHFFFAOYSA-NDB-3766862'-methyl-2-[(methylsulfonyl)methyl]biphenyl-4-carboxylic acid2'-Methyl-2-[(methylsulfonyl)methyl][1,1'-biphenyl]-4-carboxylic acid1141474-03-4
Database identifiers
- PubChem CID
- 59495654
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Related reactions
1 records
Compound notes
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