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Home > Pyridines > 149239-42-9
149239-42-9 | 4(1H)-Pyridinone, nitrate (2:1)
CAS No: 149239-42-9 Catalog No: AG001LI5 MDL No:
Product Description
Catalog Number:
AG001LI5
Chemical Name:
4(1H)-Pyridinone, nitrate (2:1)
CAS Number:
149239-42-9
Molecular Formula:
C10H11N3O5
Molecular Weight:
253.2114
IUPAC Name:
nitric acid;1H-pyridin-4-one
InChI:
InChI=1S/2C5H5NO.HNO3/c2*7-5-1-3-6-4-2-5;2-1(3)4/h2*1-4H,(H,6,7);(H,2,3,4)
InChI Key:
PESOFEWMEKHKFM-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]cc1.O=c1cc[nH]cc1.[O-][N+](=O)O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.214g/mol
Monoisotopic Mass:
253.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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