17028-61-4 | 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$22.00	$15.00
5g	98%	in stock	$36.00	$25.00
10g	98%	in stock	$56.00	$39.00
25g	98%	in stock	$118.00	$83.00
100g	98%	in stock	$359.00	$252.00

Description

• Catalog Number: AB62301
• Chemical Name: 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde
• CAS Number: 17028-61-4
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.1449
• MDL Number: MFCD00017033
• SMILES: COc1cc(cc(c1O)C=O)[N+](=O)[O-]
• NSC Number: 206206

Computed Properties

• Complexity: 226
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.2

Literature

• 2-Hydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)-3-methyl-benzo-hydrazide.

  Acta crystallographica. Section E, Structure reports online 20100501

• (E)-2,4-Dihydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)benzohydrazide dihydrate.

  Acta crystallographica. Section E, Structure reports online 20100501

• Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060201