Cas no 90327-10-9 (Benzoic acid, 4-methyl-, 2-ethoxyethyl ester)

Benzoic acid, 4-methyl-, 2-ethoxyethyl ester structure
90327-10-9 structure
Product Name:Benzoic acid, 4-methyl-, 2-ethoxyethyl ester
CAS No:90327-10-9
MF:C12H16O3
MW:208.253643989563
CID:789355
PubChem ID:54481362
Update Time:2025-04-19

Benzoic acid, 4-methyl-, 2-ethoxyethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-methyl-, 2-ethoxyethyl ester
    • 2-ethoxyethyl 4-methylbenzoate
    • DTXSID70711636
    • 4-Methylbenzoic acid, 2-ethoxyethyl ester
    • AKOS017088426
    • 90327-10-9
    • XPFDTHXUAZHOHS-UHFFFAOYSA-N
    • Inchi： 1S/C12H16O3/c1-3-14-8-9-15-12(13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
    • InChI Key： XPFDTHXUAZHOHS-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC(C)=CC=1)=O)CCOCC

Computed Properties

  • Exact Mass: 208.11
  • Monoisotopic Mass: 208.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 183
  • 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: 35.5A^2

Benzoic acid, 4-methyl-, 2-ethoxyethyl ester Related Literature

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