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142011-80-1 | 2-Hexadecanol, 2-methanesulfonate
CAS No: 142011-80-1 Catalog No: AG001HJK MDL No:
Product Description
Catalog Number:
AG001HJK
Chemical Name:
2-Hexadecanol, 2-methanesulfonate
CAS Number:
142011-80-1
Molecular Formula:
C17H36O3S
Molecular Weight:
320.5309
IUPAC Name:
hexadecan-2-ol;methanesulfonic acid
InChI:
InChI=1S/C16H34O.CH4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17;1-5(2,3)4/h16-17H,3-15H2,1-2H3;1H3,(H,2,3,4)
InChI Key:
PFAHNCMKJMATRX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(OS(=O)(=O)C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.249g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.547g/mol
Monoisotopic Mass:
338.249g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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