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30831-87-9 | 1(2H)-Quinolineacetic acid, α-oxo-, ethyl ester
CAS No: 30831-87-9 Catalog No: AG0031FX MDL No:
Product Description
Catalog Number:
AG0031FX
Chemical Name:
1(2H)-Quinolineacetic acid, α-oxo-, ethyl ester
CAS Number:
30831-87-9
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
ethyl 2-oxo-2-(2H-quinolin-1-yl)acetate
InChI:
InChI=1S/C13H13NO3/c1-2-17-13(16)12(15)14-9-5-7-10-6-3-4-8-11(10)14/h3-8H,2,9H2,1H3
InChI Key:
WTLJHBLVUSNPSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)N1CC=Cc2c1cccc2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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