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88692-70-0 | Ethanol, 2-[(1,1-diethyl-3-iodo-2-propynyl)oxy]-
CAS No: 88692-70-0 Catalog No: AG0089I6 MDL No:
Product Description
Catalog Number:
AG0089I6
Chemical Name:
Ethanol, 2-[(1,1-diethyl-3-iodo-2-propynyl)oxy]-
CAS Number:
88692-70-0
Molecular Formula:
C9H15IO2
Molecular Weight:
282.1187
IUPAC Name:
2-(3-ethyl-1-iodopent-1-yn-3-yl)oxyethanol
InChI:
InChI=1S/C9H15IO2/c1-3-9(4-2,5-6-10)12-8-7-11/h11H,3-4,7-8H2,1-2H3
InChI Key:
SVPBDLXBMFEYSD-UHFFFAOYSA-N
SMILES:
OCCOC(C#CI)(CC)CC
Properties
Complexity:
174
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:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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