Cas no 53393-88-7 (Cyclopentanebutanoic acid, methyl ester)

Cyclopentanebutanoic acid, methyl ester structure
53393-88-7 structure
Product Name:Cyclopentanebutanoic acid, methyl ester
CAS No:53393-88-7
MF:C10H18O2
MW:170.248723506927
CID:336061
PubChem ID:19956579
Update Time:2025-04-19

Cyclopentanebutanoic acid, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanebutanoic acid, methyl ester
    • methyl 4-cyclopentylbutanoate
    • 53393-88-7
    • SCHEMBL8885696
    • DTXSID90601449
    • Inchi: 1S/C10H18O2/c1-12-10(11)8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3
    • InChI Key: AVHYFUMPMJDUTH-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCC1CCCC1)=O

Computed Properties

  • Exact Mass: 170.130679813g/mol
  • Monoisotopic Mass: 170.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 137
  • 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: 3.1
  • Topological Polar Surface Area: 26.3?2

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