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

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$15.00	$10.00
10g	98%	in stock	$18.00	$12.00
25g	98%	in stock	$22.00	$15.00
100g	98%	in stock	$56.00	$39.00
500g	98%	in stock	$209.00	$146.00

Description

• Catalog Number: AB75648
• Chemical Name: Methyl 2-methyl-3-nitrobenzoate
• CAS Number: 59382-59-1
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.17206000000002
• 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