cis-3-Hexenyl acetate

• CAS: 3681-71-8
• Catalog Number: ACM3681718
• Category: Other Products
• Molecular Weight: 142.2
• Molecular Formula: C8H14O2
• Synonyms: (3Z)-3-Hexenyl acetate
• IUPAC Name: [(Z)-Hex-3-enyl] acetate
• Canonical SMILES: CCC=CCCOC(=O)C
• InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
• InChI Key: NPFVOOAXDOBMCE-PLNGDYQASA-N
• Boiling Point: 75-76 °C
• Flash Point: 135 °F
• Density: 0.897 g/mL at 25 °C(lit.)
• Complexity: 116
• Defined Atom Stereocenter Count: 0
• Exact Mass: 142.099379685
• Formal Charge: 0
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CC/C=C\CCOC(=O)C
• Isotope Atom Count: 0
• Monoisotopic Mass: 142.099379685
• Physical State: Liquid
• Refractive Index: n20/D 1.427(lit.)
• Rotatable Bond Count: 5
• Storage Conditions: Inert atmosphere,Room Temperature
• Topological Polar Surface Area: 26.3 Ų
• XLogP3-AA: 1.9