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13720-90-6 | 2-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS No: 13720-90-6 Catalog No: AG0012XZ MDL No:MFCD11998911
Product Description
Catalog Number:
AG0012XZ
Chemical Name:
2-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
13720-90-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD11998911
IUPAC Name:
ethyl 4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)10-7-11(14)8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
UACLREXZGKWWIC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)c2c([nH]1)cccc2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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