Acetic acid, iodo-, 1,1-dimethylethyl ester


Chemical Name: Acetic acid, iodo-, 1,1-dimethylethyl ester
CAS Number: 49827-15-8
Product Number: AG006XX7(AGN-PC-0NEKE5)
Synonyms:
MDL No: MFCD09833728
Molecular Formula: C6H11IO2
Molecular Weight: 242.0548

Identification/Properties


Computed Properties
Molecular Weight:
242.056g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
241.98g/mol
Monoisotopic Mass:
241.98g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
104
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


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