3-Oxobutanoic acid propane-1,3-diyl ester


Chemical Name: 3-Oxobutanoic acid propane-1,3-diyl ester
CAS Number: 174498-06-7
Product Number: AG001ZP3(AGN-PC-0WALOU)
Synonyms:
MDL No:
Molecular Formula: C11H16O6
Molecular Weight: 244.2411

Identification/Properties


Computed Properties
Molecular Weight:
244.243g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
10
Exact Mass:
244.095g/mol
Monoisotopic Mass:
244.095g/mol
Topological Polar Surface Area:
86.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
277
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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