4,4-Dimethylcyclohexane-1,3-dione

• Catalog Number: ACM562469
• Product Name: 4,4-Dimethylcyclohexane-1,3-dione
• CAS: 562-46-9
• Category: Heterocyclic Organic Compound
• Synonyms: ZINC100019159; AK-76487; TC-121217; 562-46-9; 4,4-Dimethyl-1,3-cyclohexanedione, 98%; Z3773; 1,3-Cyclohexanedione,4,4-dimethyl-; K-9972; GEO-02812; ACMC-209lre
• IUPAC Name: 4,4-dimethylcyclohexane-1,3-dione
• Molecular Weight: 140.182g/mol
• Molecular Formula: C8H12O2
• Canonical SMILES: CC1(CCC(=O)CC1=O)C
• InChI: InChI=1S/C8H12O2/c1-8(2)4-3-6(9)5-7(8)10/h3-5H2,1-2H3
• InChI Key: PLGPBTCNKJQJHQ-UHFFFAOYSA-N
• Complexity: 180
• Covalently-Bonded Unit Count: 1
• Exact Mass: 140.084g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 140.084g/mol
• Topological Polar Surface Area: 34.1A^2