Cas no 68040-67-5 (Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester)

Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester structure
68040-67-5 structure
Product Name:Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester
CAS No:68040-67-5
MF:C11H12O4
MW:208.210583686829
CID:523487
PubChem ID:243007
Update Time:2025-04-19

Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester
    • 2-(Acetyloxy)-6-methylbenzoic acid
    • 2-Acetoxy-6-methyl-benzoesaeure-methylester
    • 2-acetoxy-6-methylbenzoic acid
    • 2-acetoxy-6-methyl-benzoic acid
    • 2-acetoxy-6-methyl-benzoic acid methyl ester
    • 2-acetyloxy-6-methyl-benzoic Acid
    • 2-Methyl-6-acetoxy-benzoesaeure
    • 6-acetyloxy-2-methylbenzoic acid
    • AC1NQU9Q
    • CTK6A2300
    • methyl 2-acetoxy-6-methylbenzoate
    • Methyl-2-acetoxy-6-methylben
    • SureCN9364224
    • DTXSID10987494
    • NSC52156
    • methyl 2-(acetyloxy)-6-methylbenzoate
    • NSC-52156
    • 68040-67-5
    • Inchi： 1S/C11H12O4/c1-7-5-4-6-9(15-8(2)12)10(7)11(13)14-3/h4-6H,1-3H3
    • InChI Key： ALADECPSHFJGRZ-UHFFFAOYSA-N
    • SMILES： O(C(C)=O)C1=CC=CC(C)=C1C(=O)OC

Computed Properties

  • Exact Mass: 208.07356
  • Monoisotopic Mass: 208.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 249
  • 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: 1.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
  • LogP: 1.70690

Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester Related Literature

68040-67-5 (Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester) Related Products

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