Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
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
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.
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
0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
198.08920892 g/mol
Monoisotopic Mass
198.08920892 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
240
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-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 |
