Diperoxydecanedioic acid
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Basic information
- CAS
5796-85-0- Standard SMILES
O=C(CCCCCCCCC(=O)OO)OO- InChIKey
UNWDCFHEVIWFCW-UHFFFAOYSA-N- Molecular formula
- C10H18O6
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.11033829
Names & identifiers
- Preferred name
- Diperoxydecanedioic acid
- IUPAC
- decanediperoxoic acid
- English name
- diperoxydecanedioic acid
- Molecular formula
- C10H18O6
- Molecular weight
- 234.24632
Names & synonyms
5796-85-0decanediperoxoic acidDiperoxydecanedioic aciddiperoxysebacic acidEINECS 227-344-6SCHEMBL338909DTXSID30973536UNWDCFHEVIWFCW-UHFFFAOYSA-NNS00047473Diperoxysebasic acid
Database identifiers
- CAS
5796-85-0- PubChem CID
- 79861
- DTXSID
DTXSID30973536- EC Number
- 227-344-6
- Nikkaji
- J218.057J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 388.6 · 388.6±52.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 7.62 · 7.62±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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