3-Methyl-1,2-cyclopentanedione


Chemical Name: 3-Methyl-1,2-cyclopentanedione
CAS Number: 765-70-8
Product Number: AG008PZJ(AGN-PC-0WA8TH)
Synonyms:
MDL No:
Molecular Formula: C6H8O2
Molecular Weight: 112.1265

Identification/Properties


Computed Properties
Molecular Weight:
112.128g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
112.052g/mol
Monoisotopic Mass:
112.052g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
138
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


NMR Spectrum


Other Analytical Data


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