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132638-24-5 | 3-Quinolinecarboxylic acid, 1,4-dihydro-2-methyl-4-oxo-, methyl ester
CAS No: 132638-24-5 Catalog No: AG0010XF MDL No:
Product Description
Catalog Number:
AG0010XF
Chemical Name:
3-Quinolinecarboxylic acid, 1,4-dihydro-2-methyl-4-oxo-, methyl ester
CAS Number:
132638-24-5
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
methyl 2-methyl-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-7-10(12(15)16-2)11(14)8-5-3-4-6-9(8)13-7/h3-6H,1-2H3,(H,13,14)
InChI Key:
XSWODDQKGOXFFU-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)[nH]c2c(c1=O)cccc2
Properties
Complexity:
359
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:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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