3-Methyl-1,2-cyclopentanedione

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Catalog Number
ACM765708
Product Name
3-Methyl-1,2-cyclopentanedione
Structure
Structure
CAS
765-70-8
Category
Heterocyclic Organic Compound
Synonyms
2-Hydroxy-5-methyl-2-cyclopenten-1-one
IUPAC Name
3-Methylcyclopentane-1,2-dione
Molecular Weight
112.13
Molecular Formula
C6H8O2
Canonical SMILES
CC1CCC(=O)C1=O
InChI
InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
InChI Key
OACYKCIZDVVNJL-UHFFFAOYSA-N
Boiling Point
170.05 °C
Melting Point
104-108 °C
Flash Point
100 °C
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 1.455(lit.)
Storage Conditions
Below +30 °C
Topological Polar Surface Area
34.1 Ų
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