Cas no 474940-61-9 (Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI))

Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI) structure
474940-61-9 structure
Product Name:Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI)
CAS No:474940-61-9
MF:C12H16O3
MW:208.253643989563
CID:1022928
PubChem ID:45094893
Update Time:2025-04-20

Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, 3-ethyl-4-methoxy- (9CI)
    • DB-285456
    • 474940-61-9
    • BENZENEPROPANOIC ACID, 3-ETHYL-4-METHOXY-
    • Inchi: 1S/C12H16O3/c1-3-10-8-9(5-7-12(13)14)4-6-11(10)15-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
    • InChI Key: DWEDPYLDKXARNP-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1CC)CCC(=O)O

Computed Properties

  • Exact Mass: 208.109944368g/mol
  • Monoisotopic Mass: 208.109944368g/mol
  • 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: 2.4
  • Topological Polar Surface Area: 46.5?2
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