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23261-58-7 | 5-Quinolinesulfonicacid
CAS No: 23261-58-7 Catalog No: AG002MPQ MDL No:
Product Description
Catalog Number:
AG002MPQ
Chemical Name:
5-Quinolinesulfonicacid
CAS Number:
23261-58-7
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
IUPAC Name:
quinoline-5-sulfonic acid
InChI:
InChI=1S/C9H7NO3S/c11-14(12,13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H,(H,11,12,13)
InChI Key:
KVGSJGNWRDPVKA-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc2c1cccn2
EC Number:
245-538-9
NSC Number:
229329
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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