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Home > Nitro Compounds > 14073-00-8
14073-00-8 | Quinoline, 3-methyl-4-nitro-, 1-oxide
CAS No: 14073-00-8 Catalog No: AG001CRC MDL No:
Product Description
Catalog Number:
AG001CRC
Chemical Name:
Quinoline, 3-methyl-4-nitro-, 1-oxide
CAS Number:
14073-00-8
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
3-methyl-4-nitro-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H8N2O3/c1-7-6-11(13)9-5-3-2-4-8(9)10(7)12(14)15/h2-6H,1H3
InChI Key:
DSDCYTGYMIYMDL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c[n+](c2c1cccc2)[O-]
UNII:
2OPR3UT96B
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:
1.1
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