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14753-13-0 | Quinoline, 7-methyl-4-nitro-, 1-oxide
CAS No: 14753-13-0 Catalog No: AG001EYQ MDL No:
Product Description
Catalog Number:
AG001EYQ
Chemical Name:
Quinoline, 7-methyl-4-nitro-, 1-oxide
CAS Number:
14753-13-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
7-methyl-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H8N2O3/c1-7-2-3-8-9(12(14)15)4-5-11(13)10(8)6-7/h2-6H,1H3
InChI Key:
MEQZPIUNLKFFEN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[n+]([O-])ccc2[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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