22287-28-1 | Bicyclo[1.1.1]pentane-1-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$29.00	$20.00
250mg	97%	in stock	$62.00	$43.00
500mg	97%	in stock	$100.00	$70.00
1g	97%	in stock	$174.00	$122.00
5g	97%	in stock	$450.00	$315.00

Description

• Catalog Number: AF74950
• Chemical Name: Bicyclo[1.1.1]pentane-1-carboxylic acid
• CAS Number: 22287-28-1
• Molecular Formula: C6H8O2
• Molecular Weight: 112.1265
• MDL Number: MFCD19228106
• SMILES: OC(=O)C12CC(C1)C2

Computed Properties

• Complexity: 134
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.5

Literature

• Inductive effect: a quantum theory of atoms in molecules perspective.

  The journal of physical chemistry. A 20111117

• Formation of a 1-bicyclo[1.1.1]pentyl anion and an experimental determination of the acidity and C-H bond dissociation energy of 3-tert-butylbicyclo[1.1.1]pentane.

  Journal of the American Chemical Society 20020320