Basic information
- CAS
500131-53-3- Standard SMILES
CC(Cc1ccccc1)OO- InChIKey
SFXDUIPHBILDKE-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 1-Phenylpropane-2-peroxol
- IUPAC
- 2-hydroperoxypropylbenzene
Names & synonyms
1-Phenylpropane-2-peroxol500131-53-3DTXSID70598424RefChem:233276DTXCID205491832-phenylisopropyl hydroperoxideSCHEMBL9771947
Database identifiers
- CAS
500131-53-3- PubChem CID
- 19367481
- DTXSID
DTXSID70598424
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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