3-Methyl-5-phenyl-1,2,4-trioxolane
Basic information
- CAS
23888-16-6- Standard SMILES
CC1OOC(c2ccccc2)O1- InChIKey
ALYBYLAFJFYDLS-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 3-Methyl-5-phenyl-1,2,4-trioxolane
- IUPAC
- 3-methyl-5-phenyl-1,2,4-trioxolane
- English name
- 3-Methyl-5-phenyl-1,2,4-trioxolane
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
3-Methyl-5-phenyl-1,2,4-trioxolane23888-16-61,2,4-Trioxolane, 3-methyl-5-phenyl-Benzene, (1-propenyl)-, ozonideDTXSID90341015ALYBYLAFJFYDLS-UHFFFAOYSA-N3-Methyl-5-phenyl-1,2,4-trioxolane #(1-Propenyl)benzene ozonide
Database identifiers
- CAS
23888-16-6- PubChem CID
- 569307
- DTXSID
DTXSID90341015- Nikkaji
- J100.261I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 229.218 · 229.218±39.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.138 · 1.138±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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