3-(4-Methylbenzene-1-sulfonyl)hex-5-en-2-one
Basic information
- CAS
67605-00-9- Standard SMILES
C=CCC(C(C)=O)S(=O)(=O)c1ccc(C)cc1- InChIKey
VAFDKURVFUVJRJ-UHFFFAOYSA-N- Molecular formula
- C13H16O3S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.08201554
Names & identifiers
- Preferred name
- 3-(4-Methylbenzene-1-sulfonyl)hex-5-en-2-one
- IUPAC
- 3-(4-methylphenyl)sulfonylhex-5-en-2-one
Names & synonyms
3-(4-Methylbenzene-1-sulfonyl)hex-5-en-2-one67605-00-9DTXSID50497587
Database identifiers
- CAS
67605-00-9- PubChem CID
- 12423697
- DTXSID
DTXSID50497587
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…