2-Methyl-1,3-cyclopentanedione

CAS	765-69-5
Structure
IUPAC Name	2-Methylcyclopentane-1,3-dione
Molecular Weight	112.13
Canonical SMILES	CC1C(=O)CCC1=O
InChI	InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3
InChI Key	HXZILEQYFQYQCE-UHFFFAOYSA-N
Boiling Point	213 °C
Melting Point	212-215 °C
Purity	98%+
Density	1.0795 g/mL at 25 °C(lit.)
Exact Mass	112.052429494
Monoisotopic Mass	112.052429494
Physical State	Crystalline powder
Refractive Index	n20/D 1.4550(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	34.1 Ų