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13022-20-3 | 4-Quinolinecarboxylic acid, 2-[2-(5-nitro-2-furanyl)ethenyl]-, ethyl ester
CAS No: 13022-20-3 Catalog No: AG000U6D MDL No:
Product Description
Catalog Number:
AG000U6D
Chemical Name:
4-Quinolinecarboxylic acid, 2-[2-(5-nitro-2-furanyl)ethenyl]-, ethyl ester
CAS Number:
13022-20-3
Molecular Formula:
C18H14N2O5
Molecular Weight:
338.3142
IUPAC Name:
ethyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate
InChI:
InChI=1S/C18H14N2O5/c1-2-24-18(21)15-11-12(19-16-6-4-3-5-14(15)16)7-8-13-9-10-17(25-13)20(22)23/h3-11H,2H2,1H3/b8-7+
InChI Key:
HFUQJPPUIVSWAP-BQYQJAHWSA-N
SMILES:
CCOC(=O)c1cc(C=Cc2ccc(o2)[N+](=O)[O-])nc2c1cccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
338.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.319g/mol
Monoisotopic Mass:
338.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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