chempirical

Peroxybenzoic acid

C7H6O3CAS 93-59-4138.12 g/mol

Open in Covalent MOL file
OOHO
Peroxide

Properties

Molecular formula
C7H6O3
Molar mass
138.12 g/mol
Exact mass
138.0317 Da
Melting point
42 °C
Boiling point
105 °C
logP
1.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
93-59-4
SMILES
O=C(OO)c1ccccc1
InChIKey
XCRBXWCUXJNEFX-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5,9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzenecarboperoxoic acid
  • Benzoyl hydrogen peroxide
  • Benzoyl hydroperoxide
  • Perbenzoic acid
  • Hydroperoxide, benzoyl
  • Peroxobenzoic acid
  • PBA

Reactions

Work with Peroxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzoyl peroxide94-36-063 % similar Methyl benzoate93-58-356 % similar Phenyl benzoate93-99-256 % similar 2-Chloroethyl benzoate939-55-952 % similar Di-O-benzoyldiethylene glycol120-55-850 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-450 % similar (+)-Dibenzoyltartaric acid17026-42-550 % similar p-Hydroxyphenyl benzoate2444-19-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,5-Dihydroxybenzaldehyde1194-98-5 Protocatechuic aldehyde139-85-5 2,3-Dihydroxybenzaldehyde24677-78-9 3,5-Dihydroxybenzaldehyde26153-38-8 2,6-Dihydroxybenzaldehyde387-46-2 3-Furanacrylic acid39244-10-5 Sesamol533-31-3 Furylacrylic acid539-47-9

Elsewhere

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