Basic information
- CAS
653588-52-4- Standard SMILES
O=C(O)CS(=O)(=O)c1cccc(COc2ccccc2)c1- InChIKey
WZPSQGDXNRBFPS-UHFFFAOYSA-N- Molecular formula
- C15H14O5S
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.05619472
Names & identifiers
- Preferred name
- 2-[3-(Phenoxymethyl)phenyl]sulfonylacetic acid
- IUPAC
- 2-[3-(phenoxymethyl)phenyl]sulfonylacetic acid
Names & synonyms
2-[3-(phenoxymethyl)phenyl]sulfonylacetic acidCHEMBL177494653588-52-4Acetic acid, [[3-(phenoxymethyl)phenyl]sulfonyl]-DTXSID00333643BDBM50137914(3-Phenoxymethyl-benzenesulfonyl)-acetic acid[3-(Phenoxymethyl)benzene-1-sulfonyl]acetic acid
Database identifiers
- CAS
653588-52-4- PubChem CID
- 515136
- DTXSID
DTXSID00333643- ChEMBL
CHEMBL177494
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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