21667-60-7 | 3-(3-Methoxy-phenyl)-3-oxo-propionitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$13.00	$9.00
1g	98%	in stock	$23.00	$16.00
5g	98%	in stock	$62.00	$43.00
25g	98%	in stock	$206.00	$144.00
100g	98%	in stock	$564.00	$395.00

Description

• Catalog Number: AD59398
• Chemical Name: 3-(3-Methoxy-phenyl)-3-oxo-propionitrile
• CAS Number: 21667-60-7
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.184
• MDL Number: MFCD01566517
• SMILES: N#CCC(=O)c1cccc(c1)OC

Computed Properties

• Complexity: 228
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 1.7

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101