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88692-66-4 | Ethanol, 2-[(1-ethyl-3-iodo-1-methyl-2-propynyl)oxy]-
CAS No: 88692-66-4 Catalog No: AG0047NM MDL No:
Product Description
Catalog Number:
AG0047NM
Chemical Name:
Ethanol, 2-[(1-ethyl-3-iodo-1-methyl-2-propynyl)oxy]-
CAS Number:
88692-66-4
Molecular Formula:
C8H13IO2
Molecular Weight:
268.0921
IUPAC Name:
2-(1-iodo-3-methylpent-1-yn-3-yl)oxyethanol
InChI:
InChI=1S/C8H13IO2/c1-3-8(2,4-5-9)11-7-6-10/h10H,3,6-7H2,1-2H3
InChI Key:
NVDWQLBYTOZDDY-UHFFFAOYSA-N
SMILES:
OCCOC(C#CI)(CC)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.094g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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