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89267-26-5 | 4-Quinolinecarboxylic acid, 6-ethoxy-5-nitro-
CAS No: 89267-26-5 Catalog No: AG0041FW MDL No:
Product Description
Catalog Number:
AG0041FW
Chemical Name:
4-Quinolinecarboxylic acid, 6-ethoxy-5-nitro-
CAS Number:
89267-26-5
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
IUPAC Name:
6-ethoxy-5-nitroquinoline-4-carboxylic acid
InChI:
InChI=1S/C12H10N2O5/c1-2-19-9-4-3-8-10(11(9)14(17)18)7(12(15)16)5-6-13-8/h3-6H,2H2,1H3,(H,15,16)
InChI Key:
PRVKRKGOTFFOJX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(OCC)ccc2c1c(ccn2)C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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