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6046-38-4 | Quinoline-2-sulfonic acid
CAS No: 6046-38-4 Catalog No: AG00EG4Z MDL No:MFCD10574744
Product Description
Catalog Number:
AG00EG4Z
Chemical Name:
Quinoline-2-sulfonic acid
CAS Number:
6046-38-4
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD10574744
IUPAC Name:
quinoline-2-sulfonic acid
InChI:
InChI=1S/C9H7NO3S/c11-14(12,13)9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,11,12,13)
InChI Key:
ZKIHLVYBGPFUAD-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(n1)cccc2
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:
0.8
Literature
| Title | Journal |
|---|---|
| N'-(4-Bromo-benzyl-idene)quinoline-8-sulfonohydrazide. | Acta crystallographica. Section E, Structure reports online 20090401 |
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