2,2'-(Benzene-1,4-diyldimethanediyl)biscyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
54771-76-5- Standard SMILES
O=C1C=CC(=O)C(Cc2ccc(CC3=CC(=O)C=CC3=O)cc2)=C1- InChIKey
WYQVNAUDNJNNIC-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- 2,2'-(Benzene-1,4-diyldimethanediyl)biscyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-[[4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
54771-76-52,2'-(benzene-1,4-diyldimethanediyl)biscyclohexa-2,5-diene-1,4-dioneNSC86653DTXSID60292989NSC-866532,2'-[1,4-Phenylenebis(methylene)]di(cyclohexa-2,5-diene-1,4-dione)
Database identifiers
- CAS
54771-76-5- PubChem CID
- 258016
- DTXSID
DTXSID60292989
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 648
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Compound notes
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