59382-59-1 | Methyl 2-methyl-3-nitrobenzoate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$6.00	$4.00
10g	98%	in stock	$7.00	$5.00
25g	98%	in stock	$11.00	$8.00
100g	98%	in stock	$36.00	$25.00
500g	98%	in stock	$139.00	$98.00

Description

• Catalog Number: AB75648
• Chemical Name: Methyl 2-methyl-3-nitrobenzoate
• CAS Number: 59382-59-1
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.1721
• MDL Number: MFCD00082564
• SMILES: COC(=O)c1cccc(c1C)[N+](=O)[O-]

Computed Properties

• Complexity: 236
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• XLogP3: 2

Literature

• The discovery and synthesis of novel adenosine substituted 2,3-dihydro-1H-isoindol-1-ones: potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1).

  Bioorganic & medicinal chemistry letters 20040105