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1696-81-7 | Sulfuric acid, dodecyl5-methyl-8-quinolinyl ester
CAS No: 1696-81-7 Catalog No: AG007UUW MDL No:
Product Description
Catalog Number:
AG007UUW
Chemical Name:
Sulfuric acid, dodecyl5-methyl-8-quinolinyl ester
CAS Number:
1696-81-7
Molecular Formula:
C22H32NO4S-
Molecular Weight:
406.5588
IUPAC Name:
dodecyl (5-methylquinolin-8-yl) sulfate
InChI:
InChI=1S/C22H33NO4S/c1-3-4-5-6-7-8-9-10-11-12-18-26-28(24,25)27-21-16-15-19(2)20-14-13-17-23-22(20)21/h13-17H,3-12,18H2,1-2H3
InChI Key:
NJSZNNCKAINTGE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc2c(n1)c(ccc2C)OS(=O)(=O)[O-]
EC Number:
216-916-0
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.213g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.569g/mol
Monoisotopic Mass:
407.213g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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