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137059-44-0 | Ethanol, 2-(1-iodoethoxy)-, 1-acetate
CAS No: 137059-44-0 Catalog No: AG0012SD MDL No:
Product Description
Catalog Number:
AG0012SD
Chemical Name:
Ethanol, 2-(1-iodoethoxy)-, 1-acetate
CAS Number:
137059-44-0
Molecular Formula:
C6H11IO3
Molecular Weight:
258.0542
IUPAC Name:
acetic acid;2-(1-iodoethoxy)ethanol
InChI:
InChI=1S/C4H9IO2.C2H4O2/c1-4(5)7-3-2-6;1-2(3)4/h4,6H,2-3H2,1H3;1H3,(H,3,4)
InChI Key:
ZFFCHQOMEFVUAG-UHFFFAOYSA-N
SMILES:
CC(OCCOC(=O)C)I
Properties
Complexity:
71.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.07g/mol
Monoisotopic Mass:
275.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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