Basic information
- CAS
2279-96-1- Standard SMILES
O=C(CCC(=O)OO)OO- InChIKey
ADKBGLXGTKOWIU-UHFFFAOYSA-N- Molecular formula
- C4H6O6
- Average molar mass
- 150.09 g/mol
- Monoisotopic mass
- 150.01643791
Names & identifiers
- Preferred name
- Peroxysuccinic acid
- IUPAC
- butanediperoxoic acid
- English name
- diperoxysuccinic acid
- Molecular formula
- C4H6O6
- Molecular weight
- 150.09
Names & synonyms
Diperoxysuccinic acidPeroxysuccinic acid2279-96-16UW922Q3CERefChem:171844218-911-9butanediperoxoic acidpersuccinatepersuccinic acidSCHEMBL38893DTXSID30945470ADKBGLXGTKOWIU-UHFFFAOYSA-N
Show more names
EINECS 218-911-9NS00048559
Database identifiers
- CAS
2279-96-1- PubChem CID
- 75289
- DTXSID
DTXSID30945470- UNII
- 6UW922Q3CE
- EC Number
- 218-911-9
- Nikkaji
- J60.747I
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 333.4 · 333.4±52.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 7.38 · 7.38±0.40(Predicted)
Chemistry & industry
Suppliers2 total
常州艾菲森化工科技有限公司18136598690 18136597130
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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