2-[(Tert-butylperoxy)carbonyl]benzoic acid
Basic information
- CAS
15042-77-0- Standard SMILES
CC(C)(C)OOC(=O)c1ccccc1C(=O)O- InChIKey
UQSXEMVUGMPGLS-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- 2-[(Tert-butylperoxy)carbonyl]benzoic acid
- IUPAC
- 2-tert-butylperoxycarbonylbenzoic acid
Names & synonyms
2-[(tert-butylperoxy)carbonyl]benzoic acidNIOSH/TI3485000Phthalic monoperoxyacid, OO-tert-butyl ester15042-77-0Peroxyphthalic acid, OO-tert-butyl esterTI34850000tert-Butyl monoperphthalateEINECS 239-116-3SCHEMBL2477857tert-BUTYL PERPHTHALIC ACIDDTXSID80933943t-butyl o-(carboxy)peroxybenzoate
Show more names
NS00051729
Database identifiers
- CAS
15042-77-0- PubChem CID
- 84769
- DTXSID
DTXSID80933943- EC Number
- 239-116-3
- Nikkaji
- J49.991I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
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Related reactions
1 records
Compound notes
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