α-Methylene-γ-butyrolactone

• CAS: 547-65-9
• Catalog Number: ACM547659
• Category: Main Products
• Molecular Weight: 98.1g/mol
• Molecular Formula: C5H6O2
• Synonyms: 3-Methylenedihydro-2(3H)-furanone, Tulipane, alpha-Methylene-gamma-butyrolactone
• IUPAC Name: 3-methylideneoxolan-2-one
• Canonical SMILES: C=C1CCOC1=O
• InChI: InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2
• InChI Key: GSLDEZOOOSBFGP-UHFFFAOYSA-N
• Boiling Point: 86-88 °C
• Density: 1.119 g/mL at 25 °C (lit.)
• Solubility: 1.53 M
• Complexity: 115
• Covalently-Bonded Unit Count: 1
• EC Number: 208-931-6
• Exact Mass: 98.036779g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 7
• Monoisotopic Mass: 98.036779g/mol
• NSC Number: 205367
• Rotatable Bond Count: 0
• UNII: 362Y256BOL
• XLogP3: 0.8