Pentanoic acid, 5-iodo-, ethyl ester


Chemical Name: Pentanoic acid, 5-iodo-, ethyl ester
CAS Number: 41302-32-3
Product Number: AG00CHQ0(AGN-PC-0L6K6M)
Synonyms:
MDL No:
Molecular Formula: C7H13IO2
Molecular Weight: 256.08139

Identification/Properties


Properties
Form:
Liquid
Computed Properties
Molecular Weight:
256.083g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
255.996g/mol
Monoisotopic Mass:
255.996g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
93.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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