Cas no 773873-61-3 (Benzoic acid,2-ethoxy-5-(1-methylethyl)-)

Benzoic acid,2-ethoxy-5-(1-methylethyl)- structure
773873-61-3 structure
Product Name:Benzoic acid,2-ethoxy-5-(1-methylethyl)-
CAS No:773873-61-3
MF:C12H16O3
MW:208.253643989563
CID:552286
PubChem ID:45094120
Update Time:2025-04-19

Benzoic acid,2-ethoxy-5-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-ethoxy-5-(1-methylethyl)-
    • Benzoic acid, 2-ethoxy-5-(1-methylethyl)- (9CI)
    • 773873-61-3
    • DTXSID801282839
    • SCHEMBL24413627
    • 2-Ethoxy-5-(1-methylethyl)benzoic acid
    • Inchi: 1S/C12H16O3/c1-4-15-11-6-5-9(8(2)3)7-10(11)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)
    • InChI Key: PEPZKJNLBDZDSF-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC(=CC=1C(=O)O)C(C)C

Computed Properties

  • Exact Mass: 208.11
  • Monoisotopic Mass: 208.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • 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
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 2.9
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