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88692-68-6 | Ethanol, 2-[[3-iodo-1-methyl-1-(1-methylethyl)-2-propynyl]oxy]-
CAS No: 88692-68-6 Catalog No: AG0089I7 MDL No:
Product Description
Catalog Number:
AG0089I7
Chemical Name:
Ethanol, 2-[[3-iodo-1-methyl-1-(1-methylethyl)-2-propynyl]oxy]-
CAS Number:
88692-68-6
Molecular Formula:
C9H15IO2
Molecular Weight:
282.1187
IUPAC Name:
2-(1-iodo-3,4-dimethylpent-1-yn-3-yl)oxyethanol
InChI:
InChI=1S/C9H15IO2/c1-8(2)9(3,4-5-10)12-7-6-11/h8,11H,6-7H2,1-3H3
InChI Key:
GRVIAIAXPBMABG-UHFFFAOYSA-N
SMILES:
OCCOC(C(C)C)(C#CI)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.121g/mol
Monoisotopic Mass:
282.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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