4,4'-Oxybis(benzoic acid)

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
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
258.05282342 g/mol
Monoisotopic Mass
258.05282342 g/mol
Topological Polar Surface Area
83.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
293
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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