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13119-77-2 | 4-Quinolinepropanoic acid, α-oxo-, ethyl ester
CAS No: 13119-77-2 Catalog No: AG000VP0 MDL No:
Product Description
Catalog Number:
AG000VP0
Chemical Name:
4-Quinolinepropanoic acid, α-oxo-, ethyl ester
CAS Number:
13119-77-2
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
ethyl 2-oxo-3-quinolin-4-ylpropanoate
InChI:
InChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-10-7-8-15-12-6-4-3-5-11(10)12/h3-8H,2,9H2,1H3
InChI Key:
LXXAVQCSCMLSAP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Cc1ccnc2c1cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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