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95314-34-4 | Propane, 1-(1-iodoethoxy)-2-methyl-
CAS No: 95314-34-4 Catalog No: AG0065KT MDL No:
Product Description
Catalog Number:
AG0065KT
Chemical Name:
Propane, 1-(1-iodoethoxy)-2-methyl-
CAS Number:
95314-34-4
Molecular Formula:
C6H13IO
Molecular Weight:
228.0713
IUPAC Name:
1-(1-iodoethoxy)-2-methylpropane
InChI:
InChI=1S/C6H13IO/c1-5(2)4-8-6(3)7/h5-6H,4H2,1-3H3
InChI Key:
BNXSBTYUFHTXLX-UHFFFAOYSA-N
SMILES:
CC(OCC(C)C)I
Properties
Complexity:
54.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.001g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.073g/mol
Monoisotopic Mass:
228.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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