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88692-67-5 | Ethanol, 2-[1-(iodoethynyl)-1-methylbutoxy]-
CAS No: 88692-67-5 Catalog No: AG0046TG MDL No:
Product Description
Catalog Number:
AG0046TG
Chemical Name:
Ethanol, 2-[1-(iodoethynyl)-1-methylbutoxy]-
CAS Number:
88692-67-5
Molecular Formula:
C9H15IO2
Molecular Weight:
282.1187
IUPAC Name:
2-(1-iodo-3-methylhex-1-yn-3-yl)oxyethanol
InChI:
InChI=1S/C9H15IO2/c1-3-4-9(2,5-6-10)12-8-7-11/h11H,3-4,7-8H2,1-2H3
InChI Key:
CLYMWPXFWYYDKZ-UHFFFAOYSA-N
SMILES:
CCCC(C#CI)(OCCO)C
Properties
Complexity:
180
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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