5985-24-0 | Dimethyl 4-hydroxyisophthalate

Packsize	Purity	Availability	Price	Discounted Price
1g	>97.0%(GC)(T)	in stock	$74.00	$52.00
5g	95%	in stock	$217.00	$152.00
10g	95%	in stock	$376.00	$264.00
25g	95%	in stock	$760.00	$532.00
100g	95%	in stock	$1,879.00	$1,316.00

Description

• Catalog Number: AB72941
• Chemical Name: Dimethyl 4-hydroxyisophthalate
• CAS Number: 5985-24-0
• Molecular Formula: C10H10O5
• Molecular Weight: 210.1834
• MDL Number: MFCD00152444
• SMILES: COC(=O)c1ccc(c(c1)C(=O)OC)O
• NSC Number: 109108

Computed Properties

• Complexity: 250
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 2.2

Literature

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

  Bioorganic & medicinal chemistry letters 20101101