Home Nitros 2-(5-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

2-(5-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

CAS No.:
56546-38-4
Catalog Number:
AG019Y5Z
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
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Product Description
Catalog Number:
AG019Y5Z
Chemical Name:
2-(5-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CAS Number:
56546-38-4
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD09811134
IUPAC Name:
2-(5-nitro-2-oxopyridin-1-yl)acetic acid
InChI:
InChI=1S/C7H6N2O5/c10-6-2-1-5(9(13)14)3-8(6)4-7(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
RGEADBRPQRBFBL-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(ccc1=O)[N+](=O)[O-]
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties