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89588-93-2 | Ethanol, 2-[(3-iodo-2-propynyl)oxy]-, methanesulfonate
CAS No: 89588-93-2 Catalog No: AG003XK4 MDL No:
Product Description
Catalog Number:
AG003XK4
Chemical Name:
Ethanol, 2-[(3-iodo-2-propynyl)oxy]-, methanesulfonate
CAS Number:
89588-93-2
Molecular Formula:
C6H11IO5S
Molecular Weight:
322.1180
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethanol;methanesulfonic acid
InChI:
InChI=1S/C5H7IO2.CH4O3S/c6-2-1-4-8-5-3-7;1-5(2,3)4/h7H,3-5H2;1H3,(H,2,3,4)
InChI Key:
LJRAEHPBGOQFHG-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.OCCOCC#CI
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.113g/mol
Monoisotopic Mass:
321.937g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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