1-Cyclopropylbutane-1,3-dione

• Catalog Number: ACM21573104
• Product Name: 1-Cyclopropylbutane-1,3-dione
• CAS: 21573-10-4
• Category: Heterocyclic Organic Compound
• Synonyms: TL80073542; MFCD00511094; AB0009705; A815490; ZLD0632; RT-000802; 21573-10-4; 1-cyclopropyl-butane-1,3-dione; zlchem 1163; 1-Cyclopropyl-1,3-Butandione
• IUPAC Name: 1-cyclopropylbutane-1,3-dione
• Molecular Weight: 126.155g/mol
• Molecular Formula: C7H10O2
• Canonical SMILES: CC(=O)CC(=O)C1CC1
• InChI: InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3
• InChI Key: KLCGMDWRXACELA-UHFFFAOYSA-N
• Complexity: 145
• Covalently-Bonded Unit Count: 1
• Exact Mass: 126.068g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 9
• Monoisotopic Mass: 126.068g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 34.1A^2