1,3-Bis(3,4-dimethylphenyl)propane-1,3-dione
Basic information
- CAS
142472-16-0- Standard SMILES
Cc1ccc(C(=O)CC(=O)c2ccc(C)c(C)c2)cc1C- InChIKey
ZAUPZWRXIWDJMV-UHFFFAOYSA-N- Molecular formula
- C19H20O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.14632988
Names & identifiers
- Preferred name
- 1,3-Bis(3,4-dimethylphenyl)propane-1,3-dione
- IUPAC
- 1,3-bis(3,4-dimethylphenyl)propane-1,3-dione
Names & synonyms
1,3-bis(3,4-dimethylphenyl)propane-1,3-dione142472-16-0MFCD08553221SCHEMBL13622409SFA47216SBB022739STK349953AKOS000311359NCGC00319541-01ST45099007EN300-2300761,3-Di-(3,4-dimethylphenyl)-1,3-propanedione
Show more names
AB01316086-02
Database identifiers
- CAS
142472-16-0- PubChem CID
- 15664666
- Nikkaji
- J461.398H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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