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1,2,3,4-Cyclopentanetetracarboxylic acid

1,2,3,4-Cyclopentanetetracarboxylic acid

Name: 1,2,3,4-Cyclopentanetetracarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C9H10O8

Molecular Weight:

246.1709

CAS Number:

3724-52-5

Catalog Number:

3724-52-5

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

Canonical 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.

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

-1.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

246.03756727 g/mol

Monoisotopic Mass

246.03756727 g/mol

Topological Polar Surface Area

149Å²

Heavy Atom Count

Formal Charge

Complexity

351

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

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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