Basic information
- CAS
106593-43-5- Standard SMILES
CC1=CC(=O)C(c2ccccc2)=CC1=O- InChIKey
UZFTUCAAHYREBS-UHFFFAOYSA-N- Molecular formula
- C13H10O2
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.06807956
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-
- IUPAC
- 2-methyl-5-phenylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-106593-43-5DTXSID30345870RefChem:247218DTXCID20296943SCHEMBL25834271UZFTUCAAHYREBS-UHFFFAOYSA-N4-Methyl[1,1'-biphenyl]-2,5-dione2-Methyl-5-phenylbenzo-1,4-quinone #2-Methyl-5-phenyl-1,4,cyclohediene-1,4-dione
Database identifiers
- CAS
106593-43-5- PubChem CID
- 607705
- DTXSID
DTXSID30345870
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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