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192661-51-1 | 1-Hexanol, 5,5-dimethyl-, 1-methanesulfonate
CAS No: 192661-51-1 Catalog No: AG002G6N MDL No:
Product Description
Catalog Number:
AG002G6N
Chemical Name:
1-Hexanol, 5,5-dimethyl-, 1-methanesulfonate
CAS Number:
192661-51-1
Molecular Formula:
C9H20O3S
Molecular Weight:
208.3183
IUPAC Name:
5,5-dimethylhexan-1-ol;methanesulfonic acid
InChI:
InChI=1S/C8H18O.CH4O3S/c1-8(2,3)6-4-5-7-9;1-5(2,3)4/h9H,4-7H2,1-3H3;1H3,(H,2,3,4)
InChI Key:
LVSREVVCXANIRR-UHFFFAOYSA-N
SMILES:
CC(CCCCOS(=O)(=O)C)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.124g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.331g/mol
Monoisotopic Mass:
226.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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