chempirical

Monoperoxyphthalic acid

C8H6O5CAS 2311-91-3182.13 g/mol

Open in Covalent MOL file
OOHOOOH
Carboxylic acidPeroxide

Properties

Molecular formula
C8H6O5
Molar mass
182.13 g/mol
Exact mass
182.0215 Da
logP
1.01Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
2311-91-3
SMILES
C1=CC=C(C(=C1)C(=O)O)C(=O)OO
InChIKey
GLVYLTSKTCWWJR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O5/c9-7(10)5-3-1-2-4-6(5)8(11)13-12/h1-4,12H,(H,9,10)

Weigh it out

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

Names and synonyms

11 names
  • 2-Carbonoperoxoylbenzoic acid
  • Monoperphthalic acid
  • Benzenecarboperoxoic acid, 2-carboxy-
  • Perphthalic acid
  • 2-Carboperoxybenzoic acid
  • MonoperoxyphthalicAcid
  • Perphthalate
  • Monoperphtalic acid
  • Mono-perphthalic acid
  • 2-Carbonoperoxoyl-benzoic acid
  • 2-Carboxybenzenecarboperoxoic acid

Work with Monoperoxyphthalic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Monomethyl phthalate4376-18-566 % similar Phthalic acid88-99-365 % similar Magnesium bis(monoperoxyphthalate) hexahydrate84665-66-759 % similar Ammonium phthalate523-24-059 % similar Monobenzyl phthalate2528-16-758 % similar Monobutyl phthalate131-70-454 % similar Phthalamic acid88-97-153 % similar Peroxybenzoic acid93-59-452 % similar

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

Same formula

2-Hydroxy-1,3-benzenedicarboxylic acid606-19-9 4-Hydroxyphthalic acid610-35-5 5-Hydroxyisophthalic acid618-83-7 4-Hydroxyisophthalic acid636-46-4

Elsewhere

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