Basic information
- CAS
653588-46-6- Standard SMILES
CC(C)(C(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1- InChIKey
DGRXTNVSVYNFOF-UHFFFAOYSA-N- Molecular formula
- C16H16O4S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.07693016
Names & identifiers
- Preferred name
- 2-Methyl-2-(4-phenylphenyl)sulfonylpropanoic acid
- IUPAC
- 2-methyl-2-(4-phenylphenyl)sulfonylpropanoic acid
Names & synonyms
2-methyl-2-(4-phenylphenyl)sulfonylpropanoic acid653588-46-6CHEMBL366763SCHEMBL1464310DTXSID50333638Propanoic acid, 2-([1,1'-biphenyl]-4-ylsulfonyl)-2-methyl-BDBM50137885DB-3754892-(Biphenyl-4-sulfonyl)-2-methyl-propionic acid2-methyl-2-(4-phenylphenyl)sulfonyl-propanoic acid2-([1,1'-Biphenyl]-4-sulfonyl)-2-methylpropanoic acid2-([1,1'-Biphenyl]-4-ylsulfonyl)-2-methylpropanoic acid
Database identifiers
- CAS
653588-46-6- PubChem CID
- 515129
- DTXSID
DTXSID50333638- ChEMBL
CHEMBL366763
Properties
Computed structural properties
- XLogP
- 3
- 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
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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