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143850-33-3 | 8-Quinolinesulfonic acid, 3-butyn-1-yl ester
CAS No: 143850-33-3 Catalog No: AG001IHI MDL No:
Product Description
Catalog Number:
AG001IHI
Chemical Name:
8-Quinolinesulfonic acid, 3-butyn-1-yl ester
CAS Number:
143850-33-3
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
IUPAC Name:
but-3-ynyl quinoline-8-sulfonate
InChI:
InChI=1S/C13H11NO3S/c1-2-3-10-17-18(15,16)12-8-4-6-11-7-5-9-14-13(11)12/h1,4-9H,3,10H2
InChI Key:
FKZZZSKSVRXSRF-UHFFFAOYSA-N
SMILES:
C#CCCOS(=O)(=O)c1cccc2c1nccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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