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16134-01-3 | 2-Quinolinecarboxylic acid, 1,4-dihydro-8-nitro-4-oxo-, methyl ester
CAS No: 16134-01-3 Catalog No: AG001SE6 MDL No:MFCD07757609
Product Description
Catalog Number:
AG001SE6
Chemical Name:
2-Quinolinecarboxylic acid, 1,4-dihydro-8-nitro-4-oxo-, methyl ester
CAS Number:
16134-01-3
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
MDL Number:
MFCD07757609
IUPAC Name:
methyl 8-nitro-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C11H8N2O5/c1-18-11(15)7-5-9(14)6-3-2-4-8(13(16)17)10(6)12-7/h2-5H,1H3,(H,12,14)
InChI Key:
NOGQBLIKIZVQKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)c2c([nH]1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.194g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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