Allyl Benzoate

• Catalog Number: ACM-MO-583040
• Product Name: Allyl Benzoate
• CAS: 583-04-0
• Category: Heterocyclic Organic Compound
• Synonyms: Benzoic Acid Allyl Ester
• IUPAC Name: prop-2-enyl benzoate
• Molecular Weight: 162.19 g/mol
• Molecular Formula: C10H10O2
• Canonical SMILES: C=CCOC(=O)C1=CC=CC=C1
• InChI: InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2
• InChI Key: LYJHVEDILOKZCG-UHFFFAOYSA-N
• Boiling Point: 242 °C
• Density: d 1.06
• Solubility: Soluble in methanol.
• Appearance: Colorless to Light Yellow to Light Orange Clear Liquid
• Complexity: 157
• Covalently-Bonded Unit Count: 1
• EC Number: 209-494-4
• Exact Mass: 162.06808g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 162.06808g/mol
• NSC Number: 406846;32639
• Physical State: Liquid
• Refractive Index: 1.52
• Rotatable Bond Count: 4
• SpecificGravity: 1.05
• UNII: AQY5543KFE
• XLogP3: 2.4