FComEx: 1,4-Benzoquinone (PC000749)

Record Information

Version

1.0

Creation date

2015-10-09 22:32:29 UTC

Update date

2017-01-19 02:36:35 UTC

FoodComEx ID

PC000749

FoodDB Record

FDB005755

Chemical Information

Name

1,4-Benzoquinone

Description

1,4-Benzoquinone, commonly known as para-quinone or quinone, is a chemical compound with the formula C6H4O2. 1,4-Benzoquinone is found in barley, olive, and anise.

CAS Number

106-51-4

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
1,4-Benzoquine	biospider
1,4-Cyclohexadiene dioxide	biospider
1,4-Cyclohexadienedione	biospider
1,4-Dioxy-benzol	biospider
1,4-Dioxybenzene	biospider
2,5-Cyclohexadiene-1,4-dione	biospider
Benzo-1,4-quinone	biospider
Benzoquinone	biospider
Chinon	biospider
Chinone	biospider
Cyclohexa-2,5-diene-1,4-dione	biospider
Cyclohexadiene-1,4-dione	biospider
p-benzoquinone	biospider
p-chinon	biospider
p-quinone	biospider
Para-benzoquinone	biospider
Para-quinone	biospider
Quinone	manual

Chemical Formula

C6H4O2

IUPAC name

cyclohexa-2,5-diene-1,4-dione

InChI Identifier

InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H

InChI Key

AZQWKYJCGOJGHM-UHFFFAOYSA-N

Isomeric SMILES

O=C1C=CC(=O)C=C1

Average Molecular Weight

108.0948

Monoisotopic Molecular Weight

108.021129372

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

P-benzoquinones

Alternative Parents

Substituents