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103989-16-8 | 8-Quinolinesulfonicacid, 6-ethyl-
CAS No: 103989-16-8 Catalog No: AG007F7V MDL No:
Product Description
Catalog Number:
AG007F7V
Chemical Name:
8-Quinolinesulfonicacid, 6-ethyl-
CAS Number:
103989-16-8
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
6-ethylquinoline-8-sulfonic acid
InChI:
InChI=1S/C11H11NO3S/c1-2-8-6-9-4-3-5-12-11(9)10(7-8)16(13,14)15/h3-7H,2H2,1H3,(H,13,14,15)
InChI Key:
QDKQPIZOVSVLER-UHFFFAOYSA-N
SMILES:
CCc1cc2cccnc2c(c1)S(=O)(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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