Delta-valerolactone

• CAS: 542-28-9
• Catalog Number: ACM542289
• Category: Polymer/Macromolecule
• Molecular Weight: 100.12g/mol
• Molecular Formula: C5H8O2
• Description: Liquid
• Synonyms: 4-VALEROLACTONE;4-PENTANOLIDE;4-HYDROXYVALERIC ACID G-LACTONE;DELTA-VALEROLACTONE;D-VALEROLACTONE;G-VALEROLACTONE;FEMA 3103;GAMMA-PENTANOLACTONE
• IUPAC Name: oxan-2-one
• Canonical SMILES: C1CCOC(=O)C1
• InChI: InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
• InChI Key: OZJPLYNZGCXSJM-UHFFFAOYSA-N
• Boiling Point: 219.0 °C
• Melting Point: -12.5 °C
• Complexity: 78.1
• Covalently-Bonded Unit Count: 1
• EC Number: 208-807-1
• Exact Mass: 100.052429g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 7
• LogP: -0.35 (LogP)
• Monoisotopic Mass: 100.052429g/mol
• NSC Number: 65442;6247
• Rotatable Bond Count: 0
• UNII: 14V1X9149L
• XLogP3: -0.3