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105105-03-1 | 8-Quinolinesulfonicacid, 6-propyl-
CAS No: 105105-03-1 Catalog No: AG007X2Y MDL No:
Product Description
Catalog Number:
AG007X2Y
Chemical Name:
8-Quinolinesulfonicacid, 6-propyl-
CAS Number:
105105-03-1
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
IUPAC Name:
6-propylquinoline-8-sulfonic acid
InChI:
InChI=1S/C12H13NO3S/c1-2-4-9-7-10-5-3-6-13-12(10)11(8-9)17(14,15)16/h3,5-8H,2,4H2,1H3,(H,14,15,16)
InChI Key:
YERYEYNEWJUNPO-UHFFFAOYSA-N
SMILES:
CCCc1cc2cccnc2c(c1)S(=O)(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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