3-Oxo-cyclobutane-1,1-dicarboxylic acid diisopropyl ester


Chemical Name: 3-Oxo-cyclobutane-1,1-dicarboxylic acid diisopropyl ester
CAS Number: 893724-10-2
Product Number: AG00IFNI(AGN-PC-0WBS3E)
Synonyms:
MDL No: MFCD06742778
Molecular Formula: C12H18O5
Molecular Weight: 242.2683

Identification/Properties


Computed Properties
Molecular Weight:
242.271g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
242.115g/mol
Monoisotopic Mass:
242.115g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
311
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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