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122364-83-4 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-quinolinyl)-, (S)- (9CI)
CAS No: 122364-83-4 Catalog No: AG001766 MDL No:
Product Description
Catalog Number:
AG001766
Chemical Name:
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-quinolinyl)-, (S)- (9CI)
CAS Number:
122364-83-4
Molecular Formula:
C13H10N2O3S
Molecular Weight:
274.2951
IUPAC Name:
(4S)-2-(6-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C13H10N2O3S/c16-8-2-4-9-7(5-8)1-3-10(14-9)12-15-11(6-19-12)13(17)18/h1-5,11,16H,6H2,(H,17,18)/t11-/m1/s1
InChI Key:
YLOLPLXXFZFHFD-LLVKDONJSA-N
SMILES:
OC(=O)[C@H]1CSC(=N1)c1ccc2c(n1)ccc(c2)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
274.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.294g/mol
Monoisotopic Mass:
274.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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