1,1-Dimethoxy-4-phenylbutan-2-one
Basic information
- CAS
6956-46-3- Standard SMILES
COC(OC)C(=O)CCc1ccccc1- InChIKey
YUJCSDHAKBLSAV-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 1,1-Dimethoxy-4-phenylbutan-2-one
- IUPAC
- 1,1-dimethoxy-4-phenylbutan-2-one
Names & synonyms
6956-46-31,1-dimethoxy-4-phenylbutan-2-oneNSC65040DTXSID10989594NSC-65040AKOS018048409
Database identifiers
- CAS
6956-46-3- PubChem CID
- 248322
- DTXSID
DTXSID10989594- Nikkaji
- J1.174.945C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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