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13119-76-1 | 2-Quinolinepropanoic acid, α-oxo-, ethyl ester
CAS No: 13119-76-1 Catalog No: AG000VP1 MDL No:MFCD00971095
Product Description
Catalog Number:
AG000VP1
Chemical Name:
2-Quinolinepropanoic acid, α-oxo-, ethyl ester
CAS Number:
13119-76-1
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD00971095
IUPAC Name:
ethyl 2-oxo-3-quinolin-2-ylpropanoate
InChI:
InChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-11-8-7-10-5-3-4-6-12(10)15-11/h3-8H,2,9H2,1H3
InChI Key:
ORRFCFGNBCDGIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Cc1ccc2c(n1)cccc2
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:
2.3
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