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116381-85-2 | 1-Butene, 2-iodo-4-(methoxymethoxy)-
CAS No: 116381-85-2 Catalog No: AG000CC7 MDL No:
Product Description
Catalog Number:
AG000CC7
Chemical Name:
1-Butene, 2-iodo-4-(methoxymethoxy)-
CAS Number:
116381-85-2
Molecular Formula:
C6H11IO2
Molecular Weight:
242.0548
IUPAC Name:
2-iodo-4-(methoxymethoxy)but-1-ene
InChI:
InChI=1S/C6H11IO2/c1-6(7)3-4-9-5-8-2/h1,3-5H2,2H3
InChI Key:
REYAISJOXXUYKH-UHFFFAOYSA-N
SMILES:
COCOCCC(=C)I
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.98g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.056g/mol
Monoisotopic Mass:
241.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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