hexanoic acid,2-isopropyl-2-methyl-5-oxo,methylester


Chemical Name: hexanoic acid,2-isopropyl-2-methyl-5-oxo,methylester
CAS Number: 33422-34-3
Product Number: AG00CYZJ(AGN-PC-0WAK0G)
Synonyms:
MDL No:
Molecular Formula: C11H20O3
Molecular Weight: 200.2747

Identification/Properties


Computed Properties
Molecular Weight:
200.278g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
200.141g/mol
Monoisotopic Mass:
200.141g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
221
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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