1,2,3,4-Cyclopentanetetracarboxylic acid
Product Information
Molecular Formula
C9H10O8
Molecular Weight
246.1709
Description
1,2,3,4-Cyclopentanetetracarboxylic acid is a valuable intermediate in biomedicine. It is primarily used in the synthesis of complex organic molecules used for drug development, specifically antiviral and anticancer compounds.
Synonyms
1,2,3,4-tetracarboxycyclopentane; Cyclopentanetetracarboxylicacid; 1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID 99+%; 1,2,3,4-Cyclopentanetetetracarboxylic Acid
IUPAC Name
cyclopentane-1,2,3,4-tetracarboxylic acid
SMILES
C1C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
InChI Key
WOSVXXBNNCUXMT-UHFFFAOYSA-N
Boiling Point
495.6±45.0 °C(Predicted)
Melting Point
184 °C
Purity
>98.0%(GC)(T)
Density
1.787 g/cm3
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
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
-1.5
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
4
Exact Mass
246.03756727 g/mol
Monoisotopic Mass
246.03756727 g/mol
Topological Polar Surface Area
149Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
351
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
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-2022009369-A | Deodorant for daily life odor | 2021-10-21 |
| CN-112500566-A | Heat-resistant transparent polyimide film and preparation method thereof | 2020-11-16 |
| JP-2021006641-A | Polyimide resin composition | 2020-09-29 |
| WO-2022034871-A1 | Copper foil with resin layer and laminate using same | 2020-08-13 |
| WO-2022034872-A1 | Resin layer-equipped copper foil and layered body using same | 2020-08-13 |
| WO-2022029078-A1 | A polyester molding comprising a metal-organic framework having a low outgassing of volatile organic compounds | 2020-08-03 |
| CN-111978539-A | Polyimide film for OLED flexible substrate and preparation method thereof | 2020-07-29 |
| JP-2022027562-A | Porous zinc complex and its manufacturing method | 2020-07-29 |
| WO-2021254824-A1 | Compositions and their use | 2020-06-18 |
| JP-2021195556-A | Polyimide film and flexible display panel containing it | 2020-06-17 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22090988 | 2011-08-01 | 2,2'-Bipyridine-cyclo-pentane-1,2,3,4-tetra-carb-oxy-lic acid (1/1) | Acta crystallographica. Section E, Structure reports online |
| 15235759 | 2004-09-01 | Identification and quantification of cotton-bound, cyclic polycarboxylic acids by means of isocratic HPLC | Analytical and bioanalytical chemistry |
