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88551-85-3 | 5-Quinolinesulfonic acid, 2-methyl-
CAS No: 88551-85-3 Catalog No: AG004DBW MDL No:
Product Description
Catalog Number:
AG004DBW
Chemical Name:
5-Quinolinesulfonic acid, 2-methyl-
CAS Number:
88551-85-3
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
2-methylquinoline-5-sulfonic acid
InChI:
InChI=1S/C10H9NO3S/c1-7-5-6-8-9(11-7)3-2-4-10(8)15(12,13)14/h2-6H,1H3,(H,12,13,14)
InChI Key:
QZNQYKSCUCTMBZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)cccc2S(=O)(=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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