chempirical

1,2-Phenylenedioxydiacetic acid

C10H10O6CAS 5411-14-3226.18 g/mol

Open in Covalent MOL file
OHOOOOHO
Carboxylic acidEther

Properties

Molecular formula
C10H10O6
Molar mass
226.18 g/mol
Exact mass
226.0477 Da
Melting point
173–174 °C
logP
0.61Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
5411-14-3
SMILES
O=C(O)COc1ccccc1OCC(=O)O
InChIKey
PPZYHOQWRAUWAY-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

7 names
  • Acetic acid, 2,2′-[1,2-phenylenebis(oxy)]bis-
  • Acetic acid, (o-phenylenedioxy)di-
  • 2,2′-[1,2-Phenylenebis(oxy)]bis[acetic acid]
  • Benzene-1,2-dioxyacetic acid
  • NSC 10926
  • 2-[2-(2-Hydroxy-2-oxoethoxy)phenoxy]acetic Acid
  • 2-[2-(Carboxymethoxy)phenoxy]acetic acid

Work with 1,2-Phenylenedioxydiacetic 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

2-(2-Methoxyphenoxy)acetic acid1878-85-979 % similar (2-Methylphenoxy)acetic acid1878-49-573 % similar O-Chlorophenoxyacetic acid614-61-973 % similar Naphthoxyacetic acid2976-75-271 % similar 2-(Carboxymethoxy)benzoic acid635-53-071 % similar (2-Formylphenoxy)acetic acid6280-80-469 % similar Phenoxyacetic acid122-59-868 % similar Salicylamide O-acetic acid25395-22-667 % similar

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

Same formula

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-6 2,5-Dihydroxy-1,4-benzenediacetic acid5488-16-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook