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89845-06-7 | 2-Hexyn-1-ol, 6-chloro-, methanesulfonate
CAS No: 89845-06-7 Catalog No: AG003YR9 MDL No:
Product Description
Catalog Number:
AG003YR9
Chemical Name:
2-Hexyn-1-ol, 6-chloro-, methanesulfonate
CAS Number:
89845-06-7
Molecular Formula:
C7H13ClO4S
Molecular Weight:
228.6937
IUPAC Name:
6-chlorohex-2-yn-1-ol;methanesulfonic acid
InChI:
InChI=1S/C6H9ClO.CH4O3S/c7-5-3-1-2-4-6-8;1-5(2,3)4/h8H,1,3,5-6H2;1H3,(H,2,3,4)
InChI Key:
SWMUPULZNZEVJH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.ClCCCC#CCO
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.687g/mol
Monoisotopic Mass:
228.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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