16205-98-4 | 3-Oxocyclohexanecarboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$11.00	$8.00
250mg	95%	in stock	$26.00	$18.00
500mg	95%	in stock	$49.00	$34.00
1g	95%	in stock	$50.00	$35.00
5g	95%	in stock	$229.00	$160.00
10g	96%	in stock	$387.00	$271.00
25g	96%	in stock	$760.00	$532.00
100g	96%	in stock	$1,879.00	$1,316.00

Description

• Catalog Number: AA83643
• Chemical Name: 3-Oxocyclohexanecarboxylic acid
• CAS Number: 16205-98-4
• Molecular Formula: C7H10O3
• Molecular Weight: 142.1525
• MDL Number: MFCD01320172
• SMILES: O=C1CCCC(C1)C(=O)O

Computed Properties

• Complexity: 162
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• Undefined Atom Stereocenter Count: 1
• XLogP3: -0.1

Literature

• (+/-)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids.

  Acta crystallographica. Section C, Crystal structure communications 20020301