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192590-39-9 | Sulfuric acid, mono-sec-hexadecyl ester (9CI)
CAS No: 192590-39-9 Catalog No: AG002G3X MDL No:
Product Description
Catalog Number:
AG002G3X
Chemical Name:
Sulfuric acid, mono-sec-hexadecyl ester (9CI)
CAS Number:
192590-39-9
Molecular Formula:
C16H33O4S-
Molecular Weight:
321.4958
IUPAC Name:
hexadecan-2-yl sulfate
InChI:
InChI=1S/C16H34O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)20-21(17,18)19/h16H,3-15H2,1-2H3,(H,17,18,19)/p-1
InChI Key:
XVCBXKRXOMMOAL-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCC(OS(=O)(=O)[O-])C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.21g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.496g/mol
Monoisotopic Mass:
321.21g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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