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88692-71-1 | Ethanol, 2-[[1-(iodoethynyl)cyclopentyl]oxy]-
CAS No: 88692-71-1 Catalog No: AG0046TF MDL No:
Product Description
Catalog Number:
AG0046TF
Chemical Name:
Ethanol, 2-[[1-(iodoethynyl)cyclopentyl]oxy]-
CAS Number:
88692-71-1
Molecular Formula:
C9H13IO2
Molecular Weight:
280.1028
IUPAC Name:
2-[1-(2-iodoethynyl)cyclopentyl]oxyethanol
InChI:
InChI=1S/C9H13IO2/c10-6-5-9(12-8-7-11)3-1-2-4-9/h11H,1-4,7-8H2
InChI Key:
ZGMUQBXPHWJWJB-UHFFFAOYSA-N
SMILES:
OCCOC1(CCCC1)C#CI
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.105g/mol
Monoisotopic Mass:
279.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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