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113451-64-2 | Quinolinium, 1-hexadecyl-5-hydroxy-
CAS No: 113451-64-2 Catalog No: AG0008NO MDL No:
Product Description
Catalog Number:
AG0008NO
Chemical Name:
Quinolinium, 1-hexadecyl-5-hydroxy-
CAS Number:
113451-64-2
Molecular Formula:
C25H40NO+
Molecular Weight:
370.5912
IUPAC Name:
1-hexadecylquinolin-1-ium-5-ol
InChI:
InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-26-22-17-18-23-24(26)19-16-20-25(23)27/h16-20,22H,2-15,21H2,1H3/p+1
InChI Key:
CJNLSGTXWXLYNY-UHFFFAOYSA-O
SMILES:
CCCCCCCCCCCCCCCC[n+]1cccc2c1cccc2O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.311g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.601g/mol
Monoisotopic Mass:
370.311g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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