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1260787-51-6 | 7-Quinolineacetic acid, 8-nitro-, ethyl ester
CAS No: 1260787-51-6 Catalog No: AG000R9K MDL No:
Product Description
Catalog Number:
AG000R9K
Chemical Name:
7-Quinolineacetic acid, 8-nitro-, ethyl ester
CAS Number:
1260787-51-6
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
ethyl 2-(8-nitroquinolin-7-yl)acetate
InChI:
InChI=1S/C13H12N2O4/c1-2-19-11(16)8-10-6-5-9-4-3-7-14-12(9)13(10)15(17)18/h3-7H,2,8H2,1H3
InChI Key:
ZNDBLXHBJJOYII-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc2c(c1[N+](=O)[O-])nccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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