2,3-Dioxobutanedioic acid
Basic information
- CAS
7580-59-8- Standard SMILES
O=C(O)C(=O)C(=O)C(=O)O- InChIKey
BLNNXYDKWOJQGK-UHFFFAOYSA-N- Molecular formula
- C4H2O6
- Average molar mass
- 146.05 g/mol
- Monoisotopic mass
- 145.98513778
Overview
Dioxosuccinic acid is an oxo dicarboxylic acid and an alpha-diketone. It is functionally related to a succinic acid.
Names & identifiers
- Preferred name
- 2,3-Dioxobutanedioic acid
- IUPAC
- 2,3-dioxobutanedioic acid
- English name
- dioxosuccinic acid
- Molecular formula
- C4H2O6
- Molecular weight
- 146.06
Names & synonyms
Dioxosuccinic acid7580-59-82,3-dioxobutanedioic acidD82LW8DKT2CHEBI:30799DTXSID30226716RefChem:134593DTXCID60149207231-483-82,3-Dioxosuccinic aciddiketosuccinic acidDIOXOBUTANEDIOIC ACID
Show more names
2,3-DioxosuccinicacidEINECS 231-483-8UNII-D82LW8DKT2SCHEMBL6310940BLNNXYDKWOJQGK-UHFFFAOYSA-NAKOS006380501BUTANEDIOIC ACID, 2,3-DIOXO-DB-329590
Database identifiers
- CAS
7580-59-8- PubChem CID
- 82062
- DTXSID
DTXSID30226716- ChEBI
CHEBI:30799- UNII
- D82LW8DKT2
- EC Number
- 231-483-8
- Nikkaji
- J61.296K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 114 °C · 114 °C
- Boiling point
- 446.5 · 446.5±28.0 °C(Predicted)
- Density
- 1.871 · 1.871±0.06 g/cm3(Predicted)
- pka
- 0.61 · 0.61±0.54(Predicted)
- FDA UNII
- 82 LW8DKT2 · D82LW8DKT2
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Additional notes
DefinitionChEBI: Dioxosuccinic acid is an oxo dicarboxylic acid and an alpha-diketone. It is functionally related to a succinic acid.
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Compound notes
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