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117030-59-8 | 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2-oxo-
CAS No: 117030-59-8 Catalog No: AG000DL2 MDL No:
Product Description
Catalog Number:
AG000DL2
Chemical Name:
6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-methyl-2-oxo-
CAS Number:
117030-59-8
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
InChI:
InChI=1S/C11H11NO3/c1-6-4-9-7(2-3-10(13)12-9)5-8(6)11(14)15/h4-5H,2-3H2,1H3,(H,12,13)(H,14,15)
InChI Key:
JLQOQKWGQIZFLM-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)cc(c(c2)C(=O)O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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