97364-15-3 | 4-(1-Hydroxy-ethyl)-benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$20.00	$14.00
250mg	95%	in stock	$47.00	$33.00
1g	97%	in stock	$80.00	$56.00
25g	95%	in stock	$1,848.00	$1,294.00

Description

• Catalog Number: AC95921
• Chemical Name: 4-(1-Hydroxy-ethyl)-benzoic acid
• CAS Number: 97364-15-3
• Molecular Formula: C9H10O3
• Molecular Weight: 166.1739
• MDL Number: MFCD00870634
• SMILES: CC(c1ccc(cc1)C(=O)O)O

Computed Properties

• Complexity: 159
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• Undefined Atom Stereocenter Count: 1
• XLogP3: 1.4

Literature

• Crystal structure of CYP199A2, a para-substituted benzoic acid oxidizing cytochrome P450 from Rhodopseudomonas palustris.

  Journal of molecular biology 20081114

• Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

  Journal of medicinal chemistry 19971205