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881033-51-8 | 1-Butyne, 3-(1-ethoxy-2-iodoethoxy)-1-iodo-3-methyl-
CAS No: 881033-51-8 Catalog No: AG004G7L MDL No:
Product Description
Catalog Number:
AG004G7L
Chemical Name:
1-Butyne, 3-(1-ethoxy-2-iodoethoxy)-1-iodo-3-methyl-
CAS Number:
881033-51-8
Molecular Formula:
C9H14I2O2
Molecular Weight:
408.0152
IUPAC Name:
3-(1-ethoxy-2-iodoethoxy)-1-iodo-3-methylbut-1-yne
InChI:
InChI=1S/C9H14I2O2/c1-4-12-8(7-11)13-9(2,3)5-6-10/h8H,4,7H2,1-3H3
InChI Key:
KGQDAGIRKCCQEW-UHFFFAOYSA-N
SMILES:
ICC(OC(C#CI)(C)C)OCC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.908g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.018g/mol
Monoisotopic Mass:
407.908g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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