Allylbenzene ozonide
Basic information
- CAS
121809-52-7- Standard SMILES
c1ccc(CC2OCOO2)cc1- InChIKey
DVNPKYOZAQMNJW-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Overview
initiates autooxidation of methyl linoleate; structure given in first source
Names & identifiers
- Preferred name
- Allylbenzene ozonide
- IUPAC
- 3-benzyl-1,2,4-trioxolane
- English name
- allylbenzene ozonide
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
Allylbenzene ozonide121809-52-7RefChem:1109023-benzyl-1,2,4-trioxolaneDTXSID209239691,2,4-Trioxolane, 3-(phenylmethyl)-
Database identifiers
- CAS
121809-52-7- PubChem CID
- 129507
- DTXSID
DTXSID20923969
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 231.628 · 231.628±29.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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