chempirical

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]

C10H10O6CAS 2245-53-6226.18 g/mol

Open in Covalent MOL file
OHOOOOOH
Carboxylic acidEther

Properties

Molecular formula
C10H10O6
Molar mass
226.18 g/mol
Exact mass
226.0477 Da
Melting point
251 °C
logP
0.61Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
2245-53-6
SMILES
O=C(O)COc1ccc(OCC(=O)O)cc1
InChIKey
DNXOCFKTVLHUMU-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O6/c11-9(12)5-15-7-1-2-8(4-3-7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

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

Names and synonyms

14 names · show all
  • Acetic acid, 2,2′-[1,4-phenylenebis(oxy)]bis-
  • Acetic acid, (p-phenylenedioxy)di-
  • Hydroquinone-O,O-diacetic acid
  • 1,4-Dicarboxymethoxybenzene
  • 1,4-Phenylenedioxydiacetic acid
  • 1,4-Bis(carboxymethoxy)benzene
  • NSC 163333
  • (p-Phenylenedioxy)diacetic acid
  • Benzene-1,4-bis(oxydiacetic acid)
  • Hydroquinone-O,O′-diacetic acid
  • Benzene-1,4-dioxydiacetic acid
  • (4-Carboxymethoxyphenoxy)acetic acid
  • 2,2′-(1,4-Phenylenebis(oxy))diacetic acid
  • 2-[4-(Carboxymethoxy)phenoxy]acetic acid

Work with 2,2′-[1,4-Phenylenebis(oxy)]bis[acetic 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

(4-Hydroxyphenoxy)acetic acid1878-84-881 % similar Phenoxyacetic acid122-59-880 % similar 4-Chlorophenoxyacetic acid122-88-378 % similar 4-Methoxyphenoxyacetic acid1877-75-478 % similar 2-(4-Bromophenoxy)acetic acid1878-91-778 % similar 4-Iodophenoxyacetic acid1878-94-078 % similar 4-Fluorophenoxyacetic acid405-79-878 % similar (4-Methylphenoxy)acetic acid940-64-778 % similar

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

Same formula

1,2-Phenylenedioxydiacetic acid5411-14-3 2,5-Dihydroxy-1,4-benzenediacetic acid5488-16-4

Elsewhere

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