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116761-66-1 | 4-Quinolinecarboxylic acid, 6-methyl-2-(5-nitro-2-furanyl)-
CAS No: 116761-66-1 Catalog No: AG000D7N MDL No:
Product Description
Catalog Number:
AG000D7N
Chemical Name:
4-Quinolinecarboxylic acid, 6-methyl-2-(5-nitro-2-furanyl)-
CAS Number:
116761-66-1
Molecular Formula:
C15H10N2O5
Molecular Weight:
298.2503
IUPAC Name:
6-methyl-2-(5-nitrofuran-2-yl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C15H10N2O5/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(16-11)13-4-5-14(22-13)17(20)21/h2-7H,1H3,(H,18,19)
InChI Key:
DWAGOFGQWGEHPR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(cc(n2)c1ccc(o1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.254g/mol
Monoisotopic Mass:
298.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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