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6046-42-0 | 4-QUINOLINESULFONIC ACID
CAS No: 6046-42-0 Catalog No: AG00EA2D MDL No:MFCD03426331
Product Description
Catalog Number:
AG00EA2D
Chemical Name:
4-QUINOLINESULFONIC ACID
CAS Number:
6046-42-0
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD03426331
IUPAC Name:
quinoline-4-sulfonic acid
InChI:
InChI=1S/C9H7NO3S/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,11,12,13)
InChI Key:
UJRYDUDEJGXDNA-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccnc2c1cccc2
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:
-0.3
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