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7425-53-8 | Ethyl 4-iodobutanoate
CAS No: 7425-53-8 Catalog No: AG003QB4 MDL No:MFCD00045325
Product Description
Catalog Number:
AG003QB4
Chemical Name:
Ethyl 4-iodobutanoate
CAS Number:
7425-53-8
Molecular Formula:
C6H11IO2
Molecular Weight:
242.0548
MDL Number:
MFCD00045325
IUPAC Name:
ethyl 4-iodobutanoate
InChI:
InChI=1S/C6H11IO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChI Key:
RLZFVPPGVAHZPE-UHFFFAOYSA-N
SMILES:
ICCCC(=O)OCC
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:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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