200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 113743-17-2
113743-17-2 | 3-Pyridinecarboxamide, 1,6-dihydro-N-[2-(nitrooxy)ethyl]-6-oxo-
CAS No: 113743-17-2 Catalog No: AG0009JF MDL No:
Product Description
Catalog Number:
AG0009JF
Chemical Name:
3-Pyridinecarboxamide, 1,6-dihydro-N-[2-(nitrooxy)ethyl]-6-oxo-
CAS Number:
113743-17-2
Molecular Formula:
C8H9N3O5
Molecular Weight:
227.1742
IUPAC Name:
2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl nitrate
InChI:
InChI=1S/C8H9N3O5/c12-7-2-1-6(5-10-7)8(13)9-3-4-16-11(14)15/h1-2,5H,3-4H2,(H,9,13)(H,10,12)
InChI Key:
KPGQDUMCVZGWBO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OCCNC(=O)c1ccc(=O)[nH]c1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.176g/mol
Monoisotopic Mass:
227.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.