Basic information
- CAS
6338-88-1- Standard SMILES
COc1ccc(C(=O)CC(=O)C2CCCCC2=O)cc1- InChIKey
XXCZZZNTMDWCIF-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050905
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-3-(2-oxocyclohexyl)propane-1,3-dione
- IUPAC
- 1-(4-methoxyphenyl)-3-(2-oxocyclohexyl)propane-1,3-dione
Names & synonyms
6338-88-11-(4-methoxyphenyl)-3-(2-oxocyclohexyl)propane-1,3-dioneNSC40939DTXSID00285198NSC-40939
Database identifiers
- CAS
6338-88-1- PubChem CID
- 237443
- DTXSID
DTXSID00285198
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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