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85-48-3

85-48-3 | QUINOLINE-8-SULFONIC ACID

CAS No: 85-48-3 Catalog No: AG00G346 MDL No:MFCD00024037

Product Description

Catalog Number:
AG00G346
Chemical Name:
QUINOLINE-8-SULFONIC ACID
CAS Number:
85-48-3
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD00024037
IUPAC Name:
quinoline-8-sulfonic acid
InChI:
InChI=1S/C9H7NO3S/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)
InChI Key:
SXVRECLPTCOMIA-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc2c1nccc2
EC Number:
201-611-7
UNII:
84Y9B81O6X

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:
0.6  

Literature

Title Journal
Photochemical cleavage reaction of 8-quinolinyl sulfonates that are halogenated and nitrated at the 7-position. Chemical & pharmaceutical bulletin 20110101

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