350997-58-9 | 3-Isobutoxybenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$127.00	$89.00
5g	98%	in stock	$367.00	$257.00
10g	98%	in stock	$603.00	$422.00
25g	98%	in stock	$1,255.00	$879.00

Description

• Catalog Number: AF57320
• Chemical Name: 3-Isobutoxybenzoic acid
• CAS Number: 350997-58-9
• Molecular Formula: C11H14O3
• Molecular Weight: 194.2271
• MDL Number: MFCD01993662
• SMILES: CC(COc1cccc(c1)C(=O)O)C

Computed Properties

• Complexity: 189
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 3.4

Literature

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

  Bioorganic & medicinal chemistry letters 20101101