98-78-2 | 3-Oxocyclopentanecarboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$16.00	$11.00
5g	97%	in stock	$20.00	$14.00
10g	97%	in stock	$39.00	$28.00
25g	97%	in stock	$85.00	$60.00
100g	97%	in stock	$324.00	$227.00

Description

• Catalog Number: AB44662
• Chemical Name: 3-Oxocyclopentanecarboxylic acid
• CAS Number: 98-78-2
• Molecular Formula: C6H8O3
• Molecular Weight: 128.1259
• MDL Number: MFCD01320173
• SMILES: O=C1CCC(C1)C(=O)O
• NSC Number: 19869

Computed Properties

• Complexity: 150
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• Undefined Atom Stereocenter Count: 1
• XLogP3: -0.4

Literature

• 3-Oxocyclo-butane-carboxylic acid: hydrogen bonding in a small-ring γ-keto acid.

  Acta crystallographica. Section E, Structure reports online 20090301

• Modifications of the pyroglutamic acid and histidine residues in thyrotropin-releasing hormone (TRH) yield analogs with selectivity for TRH receptor type 2 over type 1.

  Bioorganic & medicinal chemistry 20070101

• (+/-)-3-Oxocyclopentanecarboxylic acid: The smallest keto acid known to aggregate by catemeric hydrogen bonding.

  Acta crystallographica. Section C, Crystal structure communications 20061201