1,2-Cyclopentanedione, 3,5-dimethyl-


Chemical Name: 1,2-Cyclopentanedione, 3,5-dimethyl-
CAS Number: 13494-07-0
Product Number: AG003IOA(AGN-PC-0JL4L8)
Synonyms:
MDL No:
Molecular Formula: C7H10O2
Molecular Weight: 126.1531

Identification/Properties


Properties
MP:
87-95℃(lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
126.155g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
126.068g/mol
Monoisotopic Mass:
126.068g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
142
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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