Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)C1CCCC1- InChIKey
JFUPIGKJIQVXRN-UHFFFAOYSA-N- Molecular formula
- C13H16O4S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.07693016
Names & identifiers
- Preferred name
- Methyl 2-(cyclopentylsulfonyl)benzoate
- IUPAC
- methyl 2-cyclopentylsulfonylbenzoate
Names & synonyms
SCHEMBL1015878JFUPIGKJIQVXRN-UHFFFAOYSA-Nmethyl 2-(cyclopentylsulfonyl)benzoate
Database identifiers
- PubChem CID
- 66877458
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 390
Related reactions
5 records
Compound notes
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