17094-34-7 | ethyl 4,4-dimethyl-3-oxopentanoate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$15.00	$10.00
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$41.00	$29.00
25g	95%	in stock	$97.00	$68.00
100g	95%	in stock	$289.00	$203.00
500g	95%	in stock	$1,224.00	$857.00

Description

• Catalog Number: AB74069
• Chemical Name: ethyl 4,4-dimethyl-3-oxopentanoate
• CAS Number: 17094-34-7
• Molecular Formula: C9H16O3
• Molecular Weight: 172.2215
• MDL Number: MFCD00042886
• SMILES: CCOC(=O)CC(=O)C(C)(C)C

Computed Properties

• Complexity: 177
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• XLogP3: 1.6

Literature

• Stereoselective ketone reduction by a carbonyl reductase from Sporobolomyces salmonicolor. Substrate specificity, enantioselectivity and enzyme-substrate docking studies.

  Organic & biomolecular chemistry 20060721