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1807546-67-3 | 6-Quinolinebutanoic acid, α,γ-dioxo-, ethyl ester
CAS No: 1807546-67-3 Catalog No: AG0022BQ MDL No:
Product Description
Catalog Number:
AG0022BQ
Chemical Name:
6-Quinolinebutanoic acid, α,γ-dioxo-, ethyl ester
CAS Number:
1807546-67-3
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
ethyl 2,4-dioxo-4-quinolin-6-ylbutanoate
InChI:
InChI=1S/C15H13NO4/c1-2-20-15(19)14(18)9-13(17)11-5-6-12-10(8-11)4-3-7-16-12/h3-8H,2,9H2,1H3
InChI Key:
HFQOWBXOYLAMLQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)CC(=O)c1ccc2c(c1)cccn2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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