1-(2-Methoxy-4,6-dimethylphenyl)ethanone
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Basic information
- CAS
21009-92-7- Standard SMILES
COc1cc(C)cc(C)c1C(C)=O- InChIKey
LQNUZJNWPUSUMG-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1-(2-Methoxy-4,6-dimethylphenyl)ethanone
- IUPAC
- 1-(2-methoxy-4,6-dimethylphenyl)ethanone
- English name
- 2'-Methoxy-4',6'-dimethylacetophenone
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
1-(2-methoxy-4,6-dimethylphenyl)ethanone21009-92-71-(2-methoxy-4,6-dimethylphenyl)ethan-1-one2'-Methoxy-4',6'-dimethylacetophenone1-(2-methoxy-4,6-dimethyl phenyl)ethanoneNSC131295SCHEMBL16644713DTXSID90299547SBB089433AKOS006274601NSC-1312951-acetyl-2-methoxy-4,6-dimethylbenzene
Show more names
Ethanone, 1-(2-methoxy-4,6-dimethylphenyl)-
1-(2-methoxy-4,6-dimethyl-phenyl)ethanoneCS-0336479AB-131/42301489
Database identifiers
- CAS
21009-92-7- PubChem CID
- 279976
- DTXSID
DTXSID90299547- Nikkaji
- J307.744F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 48 · 48-49 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 135 °C · 135 °C(Press: 14 Torr)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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