116313-85-0 | 3,4-Dihydroxy-5-nitrobenzaldehyde

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$13.00	$9.00
1g	95%	in stock	$15.00	$10.00
5g	95%	in stock	$23.00	$16.00
25g	98%(GC)	in stock	$24.00	$17.00
100g	≥97%	in stock	$35.00	$24.00
500g	98%(GC)	in stock	$168.00	$118.00

Description

• Catalog Number: AA15608
• Chemical Name: 3,4-Dihydroxy-5-nitrobenzaldehyde
• CAS Number: 116313-85-0
• Molecular Formula: C7H5NO5
• Molecular Weight: 183.1183
• MDL Number: MFCD00871897
• SMILES: O=Cc1cc(O)c(c(c1)[N+](=O)[O-])O

Computed Properties

• Complexity: 213
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.1

Literature

• (E)-Ethyl 2-cyano-3-(3,4-dihydr-oxy-5-nitro-phen-yl)acrylate.

  Acta crystallographica. Section E, Structure reports online 20091001