6018-41-3 | Methyl coumalate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$19.00	$13.00
10g	98%	in stock	$28.00	$19.00
25g	98%	in stock	$53.00	$37.00

Description

• Catalog Number: AG64723
• Chemical Name: Methyl coumalate
• CAS Number: 6018-41-3
• Molecular Formula: C7H6O4
• Molecular Weight: 154.1201
• MDL Number: MFCD00010120
• SMILES: COC(=O)c1ccc(=O)oc1

Computed Properties

• Complexity: 249
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• XLogP3: 0.4

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• Phosphine-catalyzed [4 + 3] annulation for the synthesis of highly functionalized bicyclo[3.2.2]nonadienes.

  Organic letters 20090903

• Crystal structure of methyl endo-8-cyano-exo-8-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate.

  Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20030301