Bisphenol A O,O-Diacetic Acid
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
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.
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].
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
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
8
Exact Mass
344.12598835 g/mol
Monoisotopic Mass
344.12598835 g/mol
Topological Polar Surface Area
93.1Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
405
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
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.] |
