1,2-Benzoquinone
PubChem CID: 11421
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| Compound Synonyms | 1,2-Benzoquinone, o-Benzoquinone, 2-Benzoquinone, o-Quinone, 583-63-1, 3,5-Cyclohexadiene-1,2-dione, cyclohexa-3,5-diene-1,2-dione, benzo-1,2-quinone, catechol quinone, ORTHO-BENZOQUINONE, SVD1LJ47R7, BRN 2038185, 20526-43-6, BENZOQUINONE, O-, CHEBI:17253, DTXSID60894765, 4-07-00-02063 (Beilstein Handbook Reference), 3,5-Cyclohexadiene-1,2-dione (9CI), 3,5-Cyclohexadiene-1,2-dione, radical ion(1-), o-Benzoquisemiquinone, UNII-SVD1LJ47R7, ortho-quinone, o-Benzoquinone, racial ion(1-), [1,2]benzoquinone, SCHEMBL113494, 3,5-cyclohexadien-1,2-dione, SCHEMBL12856677, WOAHJDHKFWSLKE-UHFFFAOYSA-N, DTXCID201324328, AKOS022504362, C02351, Q402601, 812-469-6 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | 1,2-Benzoquinone, also called ortho-benzoquinone or cyclohexa-3,5-diene-1,2-dione, is a ketone, with formula C6H4O2. It is one of the two isomers of quinone, the other being 1,4-benzoquinone. O-Quinone is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexa-3,5-diene-1,2-dione |
| Nih Violation | True |
| Class | Carbonyl compounds |
| Xlogp | 0.4 |
| Superclass | Organooxygen compounds |
| Is Pains | True |
| Subclass | Ketones |
| Molecular Formula | C6H4O2 |
| Inchi Key | WOAHJDHKFWSLKE-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 1,2-Benzoquinone, 2-Benzoquinone, 3,5-Cyclohexadiene-1,2-dione, 3,5-Cyclohexadiene-1,2-dione (9ci), Benzo-1,2-quinone, Cyclohexa-3,5-diene-1,2-dione, O-Benzoquinone, Ortho-Benzoquinone, Catechol quinone, O-Quinone, Ortho-benzoquinone, benzo-1,2-Quinone |
| Substituent Name | O-benzoquinone, Hydrocarbon derivative, Aliphatic homomonocyclic compound |
| Compound Name | 1,2-Benzoquinone |
| Kingdom | Organic compounds |
| Exact Mass | 108.021 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 108.021 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 108.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H |
| Smiles | C1=CC(=O)C(=O)C=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-benzoquinones |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all