Home Carboxys 2-methyl-5-nitrofuran-3-carboxylic acid

2-methyl-5-nitrofuran-3-carboxylic acid

CAS No.:
129423-27-4
Catalog Number:
AG01BBDF
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBDF
Chemical Name:
2-methyl-5-nitrofuran-3-carboxylic acid
CAS Number:
129423-27-4
MDL Number:
MFCD00092549
IUPAC Name:
2-methyl-5-nitrofuran-3-carboxylic acid
InChI:
InChI=1S/C6H5NO5/c1-3-4(6(8)9)2-5(12-3)7(10)11/h2H,1H3,(H,8,9)
InChI Key:
NXPDJCKSBLMJII-UHFFFAOYSA-N
NSC Number:
170569
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.017g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.108g/mol
Monoisotopic Mass:
171.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorganic & medicinal chemistry 20100715
Properties