Bicyclo[2.2.2]octane-1,4-dicarboxylic acid

Inquiry

Molecular Formula:

C10H14O4

Molecular Weight:

198.216

CAS Number:

711-02-4

Catalog Number:

711-02-4

Product Information

Molecular Formula:

C10H14O4

Molecular Weight:

198.216

Description

Bicyclo[2.2.2]octane-1,4-dicarboxylic acid is an essential constituent within the realm of medicinal synthesis and manifests its paramount significance in treating an array of diseases. Ranging from cancer to cardiovascular and neurological disorders, this versatile compound enables the formulation of pharmacological agents. Displaying distinctive chemical attributes, Bicyclo[2.2.2]octane-1,4-dicarboxylic acid intricately involves itself in the progression of efficacious therapeutics, thereby rendering it an indispensable driving force within the domain of biomedicine.

Synonyms

Bicyclo[2.2.2]octane-1,4-dicarboxylicacid; 1,4-Dicarboxybicyclo[2.2.2]octane; Bicyclo[2.2.2]octane-1,4-dicarboxylic'acid; Bicyclo[2.2.2] octane-1,4 dicarboxylic acid

IUPAC Name

bicyclo[2.2.2]octane-1,4-dicarboxylic acid

Canonical SMILES

C1CC2(CCC1(CC2)C(=O)O)C(=O)O

InChI

InChI=1S/C10H14O4/c11-7(12)9-1-2-10(5-3-9,6-4-9)8(13)14/h1-6H2,(H,11,12)(H,13,14)

InChI Key

KVOACUMJSXEJQT-UHFFFAOYSA-N

Boiling Point

393°C

Melting Point

393-395°C

Flash Point

206°C

Purity

97.0%

Density

1.447

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

0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.08920892 g/mol

Monoisotopic Mass

198.08920892 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

240

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-2022041899-A	Resin composition, resin film and display device	2020-08-31
JP-2022041900-A	Laminates and display devices	2020-08-31
JP-2022041901-A	Laminates and display devices	2020-08-31
WO-2022044822-A1	Resin composition, resin film, and display device	2020-08-31
WO-2022044823-A1	Layered body and display device	2020-08-31
WO-2022044824-A1	Layered body and display device	2020-08-31
WO-2022030602-A1	Liquid-crystal composition, method for producing liquid-crystal display element, and liquid-crystal display element	2020-08-06
WO-2021231927-A1	Androgen receptor protein degraders with a tricyclic cereblon ligand	2020-05-14
JP-2021175793-A	Curable composition, wavelength conversion film, light emitting device and image display device	2020-04-28
JP-2021161392-A	Curable resin composition and display device	2020-03-31

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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