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153886-69-2 | 3-METHYL-8-QUINOLINESULFONIC ACID
CAS No: 153886-69-2 Catalog No: AG00ADD9 MDL No:MFCD07369543
Product Description
Catalog Number:
AG00ADD9
Chemical Name:
3-METHYL-8-QUINOLINESULFONIC ACID
CAS Number:
153886-69-2
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD07369543
IUPAC Name:
3-methylquinoline-8-sulfonic acid
InChI:
InChI=1S/C10H9NO3S/c1-7-5-8-3-2-4-9(15(12,13)14)10(8)11-6-7/h2-6H,1H3,(H,12,13,14)
InChI Key:
BTBNYOKJERLLQI-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)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
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