Tert-butyl 3-phenylprop-2-eneperoxoate
Basic information
- CAS
2123-92-4- Standard SMILES
CC(C)(C)OOC(=O)C=Cc1ccccc1- InChIKey
BPCBXWVRESTYBG-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Tert-butyl 3-phenylprop-2-eneperoxoate
- IUPAC
- tert-butyl 3-phenylprop-2-eneperoxoate
Names & synonyms
2123-92-4tert-Butyl peroxycinnamatetert-butyl 3-phenylprop-2-eneperoxoateSCHEMBL8613531DTXSID601251537NS000456641,1-Dimethylethyl 3-phenyl-2-propeneperoxoate
Database identifiers
- CAS
2123-92-4- PubChem CID
- 102207
- DTXSID
DTXSID601251537- EC Number
- 218-338-4
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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