Cas no 164472-98-4 (Cyclopentaneacetic acid, phenylmethyl ester)

Cyclopentaneacetic acid, phenylmethyl ester structure
164472-98-4 structure
Product Name:Cyclopentaneacetic acid, phenylmethyl ester
CAS No:164472-98-4
MF:C14H18O2
MW:218.291524410248
CID:1348347
PubChem ID:53419194
Update Time:2025-04-20

Cyclopentaneacetic acid, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclopentaneacetic acid, phenylmethyl ester
    • benzyl cyclopentaneacetate
    • BENZYL 2-CYCLOPENTYLACETATE
    • benzyl cyclopentylacetate
    • 164472-98-4
    • QBMXKZIDIGILNB-UHFFFAOYSA-N
    • SCHEMBL305021
    • AKOS017001888
    • MDL: MFCD11976270
    • Inchi: 1S/C14H18O2/c15-14(10-12-6-4-5-7-12)16-11-13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2
    • InChI Key: QBMXKZIDIGILNB-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(CC1CCCC1)=O

Computed Properties

  • Exact Mass: 218.13074
  • Monoisotopic Mass: 218.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 213
  • 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
  • XLogP3: 3.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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