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51583-69-8 | 3-(2-Methylquinolin-1-ium-1-yl)propane-1-sulfonate
CAS No: 51583-69-8 Catalog No: AG006V8D MDL No:MFCD00182042
Product Description
Catalog Number:
AG006V8D
Chemical Name:
3-(2-Methylquinolin-1-ium-1-yl)propane-1-sulfonate
CAS Number:
51583-69-8
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
MDL Number:
MFCD00182042
IUPAC Name:
3-(2-methylquinolin-1-ium-1-yl)propane-1-sulfonate
InChI:
InChI=1S/C13H15NO3S/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-18(15,16)17/h2-3,5-8H,4,9-10H2,1H3
InChI Key:
XOQBXKBUTMRNQS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c([n+]1CCCS(=O)(=O)[O-])cccc2
EC Number:
257-298-2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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