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Home Other Building Blocks 1,2-DIHYDRO-4-(METHOXYMETHYL)-6-METHYL-5-NITRO-2-OXONICOTINONITRILE

1,2-DIHYDRO-4-(METHOXYMETHYL)-6-METHYL-5-NITRO-2-OXONICOTINONITRILE

CAS No.:
6281-75-0
Catalog Number:
AG00EU0W
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$175
- +
5g
1 week
United States
$505
- +
10g
1 week
United States
$667
- +
25g
1 week
United States
$982
- +
Product Description
Catalog Number:
AG00EU0W
Chemical Name:
1,2-DIHYDRO-4-(METHOXYMETHYL)-6-METHYL-5-NITRO-2-OXONICOTINONITRILE
CAS Number:
6281-75-0
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
MDL Number:
MFCD00047334
IUPAC Name:
4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H9N3O4/c1-5-8(12(14)15)7(4-16-2)6(3-10)9(13)11-5/h4H2,1-2H3,(H,11,13)
InChI Key:
FDZPYSHPLURJEA-UHFFFAOYSA-N
SMILES:
COCc1c([N+](=O)[O-])c(C)[nH]c(=O)c1C#N
NSC Number:
5867
Properties
Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.188g/mol
Monoisotopic Mass:
223.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Spectral and optical studies of 2-amino-5-nitropyridinium dihydrogen phosphate: a semiorganic nonlinear optical material. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070501
A direct continuous spectrophotometric assay for glycosidases with 3-nitro-2-pyridyl glycosides by tautomerization of 2-hydroxy-3-nitropyridine. Analytical biochemistry 20020315
Properties