Basic information
- Standard SMILES
O=Cc1ccccc1S(=O)(=O)C1CCCCC1- InChIKey
DLQAKNSZSDRTIL-UHFFFAOYSA-N- Molecular formula
- C13H16O3S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.08201554
Names & identifiers
- Preferred name
- 2-(Cyclohexylsulfonyl)benzaldehyde
- IUPAC
- 2-cyclohexylsulfonylbenzaldehyde
Names & synonyms
SCHEMBL2670077SCHEMBL84024172-(cyclohexylsulfonyl)benzaldehydeDLQAKNSZSDRTIL-UHFFFAOYSA-NDB-1116261174009-26-7
Database identifiers
- PubChem CID
- 86633019
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Related reactions
4 records
Compound notes
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