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1373835-09-6 | 2-Quinolinecarboxylic acid, 6-amino-4-hydroxy-, methyl ester
CAS No: 1373835-09-6 Catalog No: AG00137T MDL No:
Product Description
Catalog Number:
AG00137T
Chemical Name:
2-Quinolinecarboxylic acid, 6-amino-4-hydroxy-, methyl ester
CAS Number:
1373835-09-6
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
methyl 6-amino-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,12H2,1H3,(H,13,14)
InChI Key:
LTCKDZAUNSZESX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(n1)ccc(c2)N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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