4-(Benzoyldioxy)-4-oxobutyric acid
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Basic information
- CAS
10484-48-7- Standard SMILES
O=C(O)CCC(=O)OOC(=O)c1ccccc1- InChIKey
QUZPSMZNTIBYAS-UHFFFAOYSA-N- Molecular formula
- C11H10O6
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.04773803
Names & identifiers
- Preferred name
- 4-(Benzoyldioxy)-4-oxobutyric acid
- IUPAC
- 4-benzoylperoxy-4-oxobutanoic acid
- English name
- 4-(benzoyldioxy)-4-oxobutyric acid
- Molecular formula
- C11H10O6
- Molecular weight
- 238.19
Names & synonyms
4-(Benzoyldioxy)-4-oxobutyric acid10484-48-74-benzoylperoxy-4-oxobutanoic acidEINECS 233-997-8Peroxide, benzoyl 3-carboxypropionylButanoic acid, 4-(benzoyldioxy)-4-oxo-M4D4FN4D8YSCHEMBL10404840DTXSID50146780QUZPSMZNTIBYAS-UHFFFAOYSA-N4-(Benzoyldioxy)-4-oxobutanoic acidNS00023326
Show more names
4-(Benzoylperoxy)-4-oxobutanoic acid
Database identifiers
- CAS
10484-48-7- PubChem CID
- 82663
- DTXSID
DTXSID50146780- UNII
- M4D4FN4D8Y
- EC Number
- 233-997-8
- Nikkaji
- J212.423H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 96 · 96-98 °C
- Boiling point
- 394.4 · 394.4±44.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.17(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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