1-Diazo-4-(2,6-dimethylphenoxy)-2-pentanone
Basic information
- CAS
137958-97-5- Standard SMILES
Cc1cccc(C)c1OC(C)CC(=O)C=[N+]=[N-]- InChIKey
ACXAMIBFNCHWLI-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 1-Diazo-4-(2,6-dimethylphenoxy)-2-pentanone
- IUPAC
- 1-diazo-4-(2,6-dimethylphenoxy)pentan-2-one
Names & synonyms
DTXSID3012624561-Diazo-4-(2,6-dimethylphenoxy)-2-pentanone1-Diazo-4-(2,6-dimethylphenoxy)pentan-2-one137958-97-5
Database identifiers
- CAS
137958-97-5- PubChem CID
- 85620135
- DTXSID
DTXSID301262456
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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