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138506-02-2 | 6-Quinolinesulfonic acid, 4-hydroxy-2-phenyl-
CAS No: 138506-02-2 Catalog No: AG0019CE MDL No:
Product Description
Catalog Number:
AG0019CE
Chemical Name:
6-Quinolinesulfonic acid, 4-hydroxy-2-phenyl-
CAS Number:
138506-02-2
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
IUPAC Name:
4-oxo-2-phenyl-1H-quinoline-6-sulfonic acid
InChI:
InChI=1S/C15H11NO4S/c17-15-9-14(10-4-2-1-3-5-10)16-13-7-6-11(8-12(13)15)21(18,19)20/h1-9H,(H,16,17)(H,18,19,20)
InChI Key:
AACAFHYXCWGSTL-UHFFFAOYSA-N
SMILES:
Oc1cc(nc2c1cc(cc2)S(=O)(=O)O)c1ccccc1
NSC Number:
157600
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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