200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1078-05-3
1078-05-3 | 4-Nitronicotinic acid N-oxide
CAS No: 1078-05-3 Catalog No: AG003LVK MDL No:MFCD03426925
Product Description
Catalog Number:
AG003LVK
Chemical Name:
4-Nitronicotinic acid N-oxide
CAS Number:
1078-05-3
Molecular Formula:
C6H4N2O5
Molecular Weight:
184.1064
MDL Number:
MFCD03426925
IUPAC Name:
4-nitro-1-oxidopyridin-1-ium-3-carboxylic acid
InChI:
InChI=1S/C6H4N2O5/c9-6(10)4-3-7(11)2-1-5(4)8(12)13/h1-3H,(H,9,10)
InChI Key:
OYLXIYDCLHUDQV-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c(c1)C(=O)O)[N+](=O)[O-]
NSC Number:
51401
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.107g/mol
Monoisotopic Mass:
184.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.