Basic information
- CAS
4388-07-2- Standard SMILES
CC1=CC(=O)C(=O)C=C1C1=CC(=O)C(=O)C=C1C- InChIKey
BWZTUXCLGZTTAB-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- 4-Methyl-5-(6-methyl-3,4-dioxocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-dione
- IUPAC
- 4-methyl-5-(6-methyl-3,4-dioxocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-dione
- English name
- 4,4'-Dimethyl-1,1'-biphenyl-2,2',5,5'-tetraone
- Molecular formula
- C14H10O4
- Molecular weight
- 242.23
Names & synonyms
NSC 11851BRN 24553003-07-00-04758 (Beilstein Handbook Reference)Me2BBQ5,5'-Bi[p-toluquinone]4,4'-Dimethyl-1,1'-biphenyl-2,2',5,5'-tetraone[Bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone, 4,4'-dimethyl-4,4'-dimethyl-1,1'-bi(cyclohexa-3,6-diene)-2,2',5,5'-tetraone4,4'-DIMETHYL-BICYCLOHEXYL-3,6,3',6'-TETRAENE-2,5,2',5'-TETRAONE4,4'-DIMETHYL-BICYCLOHEXYL-3,6,3',6'-TETRAENE-2,5,2',5'-TETRAONE
Database identifiers
- CAS
4388-07-2- PubChem CID
- 78097
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 568
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 305.05 °C · 305.05°C (rough estimate)
- Density
- 1.1478 · 1.1478 (rough estimate)
- refractive index
- 1.519 · 1.5190 (estimate)
Chemistry & industry
Suppliers5 total
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
April Scientific Inc.+886-930201767 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…