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13720-96-2 | 3-Quinolinecarboxylic acid, 4-ethoxy-, ethyl ester
CAS No: 13720-96-2 Catalog No: AG0012XW MDL No:
Product Description
Catalog Number:
AG0012XW
Chemical Name:
3-Quinolinecarboxylic acid, 4-ethoxy-, ethyl ester
CAS Number:
13720-96-2
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
ethyl 4-ethoxyquinoline-3-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-3-17-13-10-7-5-6-8-12(10)15-9-11(13)14(16)18-4-2/h5-9H,3-4H2,1-2H3
InChI Key:
HXIUQCPRCKSUGB-UHFFFAOYSA-N
SMILES:
CCOc1c(cnc2c1cccc2)C(=O)OCC
NSC Number:
136912
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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