2-Acetyl-1,4-benzoquinone
Basic information
- CAS
1125-55-9- Standard SMILES
CC(=O)C1=CC(=O)C=CC1=O- InChIKey
WWHDFTWNMBCRIK-UHFFFAOYSA-N- Molecular formula
- C8H6O3
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.03169405
Names & identifiers
- Preferred name
- 2-Acetyl-1,4-benzoquinone
- IUPAC
- 2-acetylcyclohexa-2,5-diene-1,4-dione
- English name
- 2-Acetyl-1,4-benzoquinone
- Molecular formula
- C8H6O3
- Molecular weight
- 150.13
Names & synonyms
2-Acetyl-1,4-benzoquinone1125-55-9DTXSID20452901RefChem:255041DTXCID104037202-acetylcyclohexa-2,5-diene-1,4-dionePhenylephrine Impurity 31SCHEMBL1287162DB-2513162,5-Cyclohexadiene-1,4-dione, 2-acetyl-
Database identifiers
- CAS
1125-55-9- PubChem CID
- 11040862
- DTXSID
DTXSID20452901- Nikkaji
- J80.181J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 294
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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