1955-46-0 | 5-Nitroisophthalic acid monomethyl ester

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$14.00	$10.00
25g	95%	in stock	$45.00	$31.00
100g	95%	in stock	$130.00	$91.00
500g	95%	in stock	$333.00	$233.00

Description

• Catalog Number: AI44000
• Chemical Name: 5-Nitroisophthalic acid monomethyl ester
• CAS Number: 1955-46-0
• Molecular Formula: C9H7NO6
• Molecular Weight: 225.15497999999997
• MDL Number: MFCD00009793
• SMILES: COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O

Computed Properties

• Complexity: 310
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.5

Literature

• Methyl 3-carboxy-5-nitrobenzoate.

  Acta crystallographica. Section E, Structure reports online 20090201