3113-71-1 | 3-Methyl-4-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$13.00	$9.00
25g	97%	in stock	$15.00	$11.00
100g	97%	in stock	$24.00	$17.00
500g	95%	in stock	$32.00	$23.00

Description

• Catalog Number: AB65331
• Chemical Name: 3-Methyl-4-nitrobenzoic acid
• CAS Number: 3113-71-1
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.1455
• MDL Number: MFCD00007168
• SMILES: OC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
• NSC Number: 28455

Computed Properties

• Complexity: 223
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.4

Literature

• Vibrational spectroscopic studies, molecular orbital calculations and chemical reactivity of 6-nitro-m-toluic acid.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120615

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501