16094-31-8 | 5-tert-Butyl-2-hydroxybenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	96%	in stock	$45.00	$32.00
1g	96%	in stock	$107.00	$75.00
25g	96%	in stock	$1,957.00	$1,370.00

Description

• Catalog Number: AA87301
• Chemical Name: 5-tert-Butyl-2-hydroxybenzoic acid
• CAS Number: 16094-31-8
• Molecular Formula: C11H14O3
• Molecular Weight: 194.2271
• MDL Number: MFCD00156971
• SMILES: OC(=O)c1cc(ccc1O)C(C)(C)C

Computed Properties

• Complexity: 217
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 4.1

Literature

• Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach.

  Journal of medicinal chemistry 20050407