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79791-16-5 | 3-Quinolinecarboxylic acid, 4-amino-1,2-dihydro-2-oxo-, ethyl ester
CAS No: 79791-16-5 Catalog No: AG005H8Y MDL No:
Product Description
Catalog Number:
AG005H8Y
Chemical Name:
3-Quinolinecarboxylic acid, 4-amino-1,2-dihydro-2-oxo-, ethyl ester
CAS Number:
79791-16-5
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
ethyl 4-amino-2-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C12H12N2O3/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)14-11(9)15/h3-6H,2H2,1H3,(H3,13,14,15)
InChI Key:
MDHVIXDDDMWVGT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(=O)[nH]c2c(c1N)cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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