Cas no 72109-82-1 (nonyl phenylacetate)

nonyl phenylacetate structure
nonyl phenylacetate structure
Product Name:nonyl phenylacetate
CAS No:72109-82-1
MF:C17H26O2
MW:262.387145519257
CID:976922
PubChem ID:562667
Update Time:2025-04-19

nonyl phenylacetate Chemical and Physical Properties

Names and Identifiers

    • nonyl phenylacetate
    • nonyl 2-phenylacetate
    • Phenylacetic acid, nonyl ester
    • EINECS 276-348-4
    • SCHEMBL11580968
    • Benzeneacetic acid, nonyl ester
    • Nonyl phenylacetate #
    • 72109-82-1
    • QICYMLLAPDCBNZ-UHFFFAOYSA-N
    • NS00062142
    • DTXSID20992832
    • Inchi: 1S/C17H26O2/c1-2-3-4-5-6-7-11-14-19-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
    • InChI Key: QICYMLLAPDCBNZ-UHFFFAOYSA-N
    • SMILES: O(C(CC1C=CC=CC=1)=O)CCCCCCCCC

Computed Properties

  • Exact Mass: 262.19338
  • Monoisotopic Mass: 262.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 11
  • Complexity: 219
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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