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89588-94-3 | 1-Butanesulfonic acid, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS No: 89588-94-3 Catalog No: AG003Z38 MDL No:
Product Description
Catalog Number:
AG003Z38
Chemical Name:
1-Butanesulfonic acid, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS Number:
89588-94-3
Molecular Formula:
C9H15IO4S
Molecular Weight:
346.1825
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethyl butane-1-sulfonate
InChI:
InChI=1S/C9H15IO4S/c1-2-3-9-15(11,12)14-8-7-13-6-4-5-10/h2-3,6-9H2,1H3
InChI Key:
GLPQJDZSOUBMKH-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)OCCOCC#CI
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.179g/mol
Monoisotopic Mass:
345.974g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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