2-Methylcyclopentane-1,3-Dione

• Catalog Number: ACM765695
• Product Name: 2-Methylcyclopentane-1,3-Dione
• CAS: 765-69-5
• Category: Heterocyclic Organic Compound
• Synonyms: MCULE-4418458735; AC1L20TT; AC1Q2QFE; EN300-21600; BR-50538; SCHEMBL661313; ZINC331660; 2-Methylcyclopentane-1,3-dione; NSC54458; EC 212-153-2
• IUPAC Name: 2-methylcyclopentane-1,3-dione
• Molecular Weight: 112.13
• Molecular Formula: C6H8O2
• 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
• Storage: Store below +30°C.
• Complexity: 122
• Covalently-Bonded Unit Count: 1
• EC Number: 212-153-2
• Exact Mass: 112.052g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 8
• Monoisotopic Mass: 112.052g/mol
• NSC Number: 54458
• Topological Polar Surface Area: 34.1A^2
• UNII: C9LG5VP01C