chempirical

4,4′-Oxybis[benzoic acid]

C14H10O5CAS 2215-89-6258.23 g/mol

Open in Covalent MOL file
OHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C14H10O5
Molar mass
258.23 g/mol
Exact mass
258.0528 Da
Melting point
above 285 °C
Boiling point
256–259 °C
logP
2.88Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2215-89-6
SMILES
O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChIKey
WVDRSXGPQWNUBN-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzoic acid, 4,4′-oxybis-
  • Benzoic acid, 4,4′-oxydi-
  • Benzoic acid, p,p′-oxydi-
  • Benzoic acid, p,p′-oxybis-
  • 4,4′-Dicarboxydiphenyl oxide
  • 4,4′-Oxydibenzoic acid
  • 4,4′-Dicarboxydiphenyl ether
  • 4-(4-Carboxyphenoxy)benzoic acid
  • 4,4′-Oxydiphenylenedicarboxylic acid
  • Diphenyl ether-4,4′-dicarboxylic acid
  • BAS 85763
  • NSC 39046
  • 4,4′-Biphenyl ether dicarboxylic acid
  • Di(4-carboxyphenyl) ether
  • 4,4′-Dicarboxy biphenyl ether
  • 4,4'-Oxybis(benzoic acid)

Work with 4,4′-Oxybis[benzoic 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

4-Phenoxybenzoic acid2215-77-283 % similar Terephthalic acid100-21-075 % similar p-Anisic acid100-09-469 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-665 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-465 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-265 % similar 4-(1-Methylethoxy)benzoic acid13205-46-462 % similar p-Acetoxybenzoic acid2345-34-862 % similar

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

Same formula

Salicylsalicylic acid552-94-3

Elsewhere

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