Cyclobutanecarboxylic acid, 2,2-dimethyl-3-oxo-, methyl ester


Chemical Name: Cyclobutanecarboxylic acid, 2,2-dimethyl-3-oxo-, methyl ester
CAS Number: 78685-51-5
Product Number: AG00ICYR(AGN-PC-0069MR)
Synonyms:
MDL No:
Molecular Formula: C8H12O3
Molecular Weight: 156.1791

Identification/Properties


Computed Properties
Molecular Weight:
156.181g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
156.079g/mol
Monoisotopic Mass:
156.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
205
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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