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101192-17-0 | Propanedioic acid, 2-[1-ethoxy-2-(2-quinolinyl)ethyl]-, 1,3-diethyl ester
CAS No: 101192-17-0 Catalog No: AG0003WW MDL No:
Product Description
Catalog Number:
AG0003WW
Chemical Name:
Propanedioic acid, 2-[1-ethoxy-2-(2-quinolinyl)ethyl]-, 1,3-diethyl ester
CAS Number:
101192-17-0
Molecular Formula:
C20H25NO5
Molecular Weight:
359.4162
IUPAC Name:
diethyl 2-(1-ethoxy-2-quinolin-2-ylethyl)propanedioate
InChI:
InChI=1S/C20H25NO5/c1-4-24-17(18(19(22)25-5-2)20(23)26-6-3)13-15-12-11-14-9-7-8-10-16(14)21-15/h7-12,17-18H,4-6,13H2,1-3H3
InChI Key:
BYZLJWVUMFJNHD-UHFFFAOYSA-N
SMILES:
CCOC(C(C(=O)OCC)C(=O)OCC)Cc1ccc2c(n1)cccc2
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.422g/mol
Monoisotopic Mass:
359.173g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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