Cas no 105917-41-7 (methyl 2-(4-hydroxy-3-propylphenyl)acetate)

methyl 2-(4-hydroxy-3-propylphenyl)acetate structure
105917-41-7 structure
Product Name:methyl 2-(4-hydroxy-3-propylphenyl)acetate
CAS No:105917-41-7
MF:C12H16O3
MW:208.253643989563
CID:2109180
PubChem ID:22459111
Update Time:2025-04-21

methyl 2-(4-hydroxy-3-propylphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-(4-hydroxy-3-propylphenyl)acetate
    • 105917-41-7
    • SCHEMBL3586640
    • DA-20078
    • PZZZBMGUMDASMF-UHFFFAOYSA-N
    • methyl 4-hydroxy-3-propylphenylacetate
    • Inchi: 1S/C12H16O3/c1-3-4-10-7-9(5-6-11(10)13)8-12(14)15-2/h5-7,13H,3-4,8H2,1-2H3
    • InChI Key: PZZZBMGUMDASMF-UHFFFAOYSA-N
    • SMILES: OC1=CC=C(CC(=O)OC)C=C1CCC

Computed Properties

  • Exact Mass: 208.109944368Da
  • Monoisotopic Mass: 208.109944368Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 203
  • 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: 2.7
  • Topological Polar Surface Area: 46.5?2
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