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Home > Nitro Compounds > 14094-47-4
14094-47-4 | Quinoline, 3-methoxy-4-nitro-, 1-oxide
CAS No: 14094-47-4 Catalog No: AG001FOO MDL No:
Product Description
Catalog Number:
AG001FOO
Chemical Name:
Quinoline, 3-methoxy-4-nitro-, 1-oxide
CAS Number:
14094-47-4
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
3-methoxy-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H8N2O4/c1-16-9-6-11(13)8-5-3-2-4-7(8)10(9)12(14)15/h2-6H,1H3
InChI Key:
SEDHYBDWEGMQLO-UHFFFAOYSA-N
SMILES:
COc1c[n+]([O-])c2c(c1[N+](=O)[O-])cccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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