4,4'-Oxybis(benzoic acid)

Inquiry

Molecular Formula:

C14H10O5

Molecular Weight:

258.23

CAS Number:

2215-89-6

Catalog Number:

2215-89-6

Product Information

Molecular Formula:

C14H10O5

Molecular Weight:

258.23

Description

4,4'-Oxybis(benzoic acid) (CAS# 2215-89-6) is a useful research chemical.

Synonyms

4-(4-carboxyphenoxy)benzoic acid; 4-(4-carboxyphenoxy)benzoic acid

IUPAC Name

4-(4-carboxyphenoxy)benzoic acid

Canonical SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(=O)O

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)

InChI Key

WVDRSXGPQWNUBN-UHFFFAOYSA-N

Boiling Point

256-259 °C

Melting Point

325 °C

Purity

> 98.0 % (GC) (T)

Density

1.395±0.06 g/cm³(Predicted)

Appearance

White to almost white powder to crystal

Storage

Store under inert gas

LogP

2.87530

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

3.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

258.05282342 g/mol

Monoisotopic Mass

258.05282342 g/mol

Topological Polar Surface Area

83.8Å²

Heavy Atom Count

Formal Charge

Complexity

293

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4,4'-Oxybis(benzoic acid)

Product Information

Safety Information

Computed Properties

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