21606-04-2 | 1-Methyl-3-nitrophthalate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$13.00	$9.00
5g	95%	in stock	$18.00	$12.00
10g	95%	in stock	$22.00	$15.00
25g	95%	in stock	$26.00	$18.00
100g	95%	in stock	$50.00	$35.00
500g	95%	in stock	$231.00	$162.00

Description

• Catalog Number: AB65418
• Chemical Name: 1-Methyl-3-nitrophthalate
• CAS Number: 21606-04-2
• Molecular Formula: C9H7NO6
• Molecular Weight: 225.15498
• MDL Number: MFCD00034781
• SMILES: COC(=O)c1cccc(c1C(=O)O)N(=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: 1.1

Literature

• 2-Meth-oxy-carbonyl-6-nitro-benzoic acid.

  Acta crystallographica. Section E, Structure reports online 20120801