Butanoic acid, 3-oxo-, 2-(acetyloxy)-2-methylpropyl ester


Chemical Name: Butanoic acid, 3-oxo-, 2-(acetyloxy)-2-methylpropyl ester
CAS Number: 106685-66-9
Product Number: AG007UJ9(AGN-PC-05J41P)
Synonyms:
MDL No:
Molecular Formula: C10H16O5
Molecular Weight: 216.2310

Identification/Properties


Computed Properties
Molecular Weight:
216.233g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
216.1g/mol
Monoisotopic Mass:
216.1g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
267
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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