Basic information
- CAS
144758-26-9- Standard SMILES
Cc1cc(C)c(C(=C=O)C(=O)Cl)c(C)c1- InChIKey
SERXVFRECJWTHE-UHFFFAOYSA-N- Molecular formula
- C12H11ClO2
- Average molar mass
- 222.67 g/mol
- Monoisotopic mass
- 222.0447573
Names & identifiers
- Preferred name
- (Chlorocarbonyl)(2,4,6-trimethylphenyl)ketene
- IUPAC
- 3-oxo-2-(2,4,6-trimethylphenyl)prop-2-enoyl chloride
Names & synonyms
144758-26-93-oxo-2-(2,4,6-trimethylphenyl)prop-2-enoyl Chloride(CHLOROCARBONYL)(2,4,6-TRIMETHYLPHENYL)KETENESCHEMBL78119492-mesityl-3-oxoacryloyl chlorideDTXSID50455445SERXVFRECJWTHE-UHFFFAOYSA-N
Database identifiers
- CAS
144758-26-9- PubChem CID
- 11106961
- DTXSID
DTXSID50455445- Nikkaji
- J1.515.719D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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