Basic information
- Standard SMILES
CS(=O)(=O)CC1CCC(C(=O)O)CC1- InChIKey
SUQVONNOGQBKKQ-UHFFFAOYSA-N- Molecular formula
- C9H16O4S
- Average molar mass
- 220.29 g/mol
Names & identifiers
- Preferred name
- 4-[(Methylsulfonyl)methyl]cyclohexanecarboxylic acid
- IUPAC
- 4-(methylsulfonylmethyl)cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL2224386SUQVONNOGQBKKQ-UHFFFAOYSA-N4-[(methylsulfonyl)methyl]cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 21085949
- Nikkaji
- J1.090.045J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Related reactions
5 records
Linked notes
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