587-48-4 | 3-Acetylaminobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$16.00	$11.00
5g	98%	in stock	$16.00	$12.00
25g	98%	in stock	$51.00	$36.00
100g	98%	in stock	$161.00	$113.00
500g	98%	in stock	$603.00	$422.00

Description

• Catalog Number: AG65341
• Chemical Name: 3-Acetylaminobenzoic acid
• CAS Number: 587-48-4
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.17266000000004
• MDL Number: MFCD00013983
• SMILES: CC(=O)Nc1cccc(c1)C(=O)O
• NSC Number: 4001

Computed Properties

• Complexity: 215
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.3

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

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

  Journal of medicinal chemistry 19971205