Cas no 28000-66-0 (Phenol, 2,6-bis(1-methylethyl)-, acetate)

Phenol, 2,6-bis(1-methylethyl)-, acetate structure
28000-66-0 structure
Product Name:Phenol, 2,6-bis(1-methylethyl)-, acetate
CAS No:28000-66-0
MF:C14H20O2
MW:220.307404518127
CID:1433616
Update Time:2024-08-15

Phenol, 2,6-bis(1-methylethyl)-, acetate Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,6-bis(1-methylethyl)-, acetate
    • 2,6-diisopropylphenyl acetate
    • Phenol, 2,6-bis(1-methylethyl)-, 1-acetate
    • Inchi: 1S/C14H20O2/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3
    • InChI Key: UVYYQAXNOURFPH-UHFFFAOYSA-N
    • SMILES: C(OC1=C(C(C)C)C=CC=C1C(C)C)(=O)C

Computed Properties

  • Exact Mass: 238.15696
  • Monoisotopic Mass: 220.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 217
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • PSA: 57.53
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