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88558-53-6 | Ethanol, 2-[(3-iodo-1-methyl-2-propynyl)oxy]-
CAS No: 88558-53-6 Catalog No: AG004E39 MDL No:
Product Description
Catalog Number:
AG004E39
Chemical Name:
Ethanol, 2-[(3-iodo-1-methyl-2-propynyl)oxy]-
CAS Number:
88558-53-6
Molecular Formula:
C6H9IO2
Molecular Weight:
240.0389
IUPAC Name:
2-(4-iodobut-3-yn-2-yloxy)ethanol
InChI:
InChI=1S/C6H9IO2/c1-6(2-3-7)9-5-4-8/h6,8H,4-5H2,1H3
InChI Key:
JSZCNAODRKONNP-UHFFFAOYSA-N
SMILES:
CC(C#CI)OCCO
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.04g/mol
Monoisotopic Mass:
239.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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