Bisphenol A O,O-Diacetic Acid

Inquiry

Molecular Formula:

C17H16O4

Molecular Weight:

344.36

CAS Number:

3539-42-2

Catalog Number:

3539-42-2

Product Information

Molecular Formula:

C17H16O4

Molecular Weight:

344.36

Description

Bisphenol A O,O-Diacetic Acid is a key intermediate compound widely used in the biomedicine industry. It plays a crucial role in the synthesis of drugs and pharmaceutical products. This compound is extensively utilized to treat various diseases, including cancer, cardiovascular disorders, and neurological conditions. Its exceptional properties and versatile applications make it an essential component in the development of novel therapeutic agents.

Synonyms

Bisphenol A O,O-Diacetic Acid

IUPAC Name

2-[4-[2-[4-(carboxymethoxy)phenyl]propan-2-yl]phenoxy]acetic acid

Canonical SMILES

CC(C)(C1=CC=C(C=C1)OCC(=O)O)C2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C19H20O6/c1-19(2,13-3-7-15(8-4-13)24-11-17(20)21)14-5-9-16(10-6-14)25-12-18(22)23/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)

InChI Key

ZYGPJSLWIIMUMO-UHFFFAOYSA-N

Melting Point

179 °C

Purity

>98.0%(T)(HPLC)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

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

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

3.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

344.12598835 g/mol

Monoisotopic Mass

344.12598835 g/mol

Topological Polar Surface Area

93.1Å²

Heavy Atom Count

Formal Charge

Complexity

405

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

Patents

Publication Number	Title	Priority Date
JP-2019085451-A	Fluorine-containing polymer and curable composition	2017-11-02
EP-3420011-A1	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
EP-3420012-A1	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
US-2019048124-A1	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
US-2019071532-A1	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
WO-2017146948-A1	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
WO-2017146949-A1	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
US-11168174-B2	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
US-11208520-B2	Isocyanate-modified rigid thermoplastic polymer compositions	2016-02-23
EP-3187532-A1	Rubber composition and pneumatic tire	2014-08-25

Literatures

PMID	Publication Date	Title	Journal
19893238	2009-11-01	1:1 Adducts of 2,2'-[isopropylidenebis(p-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine	Acta crystallographica. Section C, Crystal structure communications
4713	1976-04-01	Alcoholism	Modern healthcare. [Short-term care ed.]

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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Bisphenol A O,O-Diacetic Acid

Product Information

Safety Information

Computed Properties

Patents

Literatures

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