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13022-19-0 | 8-Quinolinecarboxylic acid, 2-[2-(5-nitro-2-furanyl)ethenyl]-
CAS No: 13022-19-0 Catalog No: AG000U6E MDL No:
Product Description
Catalog Number:
AG000U6E
Chemical Name:
8-Quinolinecarboxylic acid, 2-[2-(5-nitro-2-furanyl)ethenyl]-
CAS Number:
13022-19-0
Molecular Formula:
C16H10N2O5
Molecular Weight:
310.2610
IUPAC Name:
2-[2-(5-nitrofuran-2-yl)ethenyl]quinoline-8-carboxylic acid
InChI:
InChI=1S/C16H10N2O5/c19-16(20)13-3-1-2-10-4-5-11(17-15(10)13)6-7-12-8-9-14(23-12)18(21)22/h1-9H,(H,19,20)
InChI Key:
MPLXOYIEPRYMGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=Cc1ccc2c(n1)c(ccc2)C(=O)O
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.265g/mol
Monoisotopic Mass:
310.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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