Cas no 627883-78-7 (Benzoic acid, 3-methoxy-2-methyl-, ethyl ester)

Benzoic acid, 3-methoxy-2-methyl-, ethyl ester structure
627883-78-7 structure
Product Name:Benzoic acid, 3-methoxy-2-methyl-, ethyl ester
CAS No:627883-78-7
MF:C11H14O3
MW:194.227063655853
CID:1640479
PubChem ID:23248683
Update Time:2025-04-21

Benzoic acid, 3-methoxy-2-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-methoxy-2-methyl-, ethyl ester
    • ethyl 3-methoxy-2-methylbenzoate
    • MFCD12025372
    • 3-methoxy-2-methyl-benzoic acid ethylester
    • 3-Methoxy-2-methylbenzoic acid ethyl ester
    • 3-Methoxy-2-methylbenzoic acid ethyl ester, 97%
    • ethyl3-methoxy-2-methylbenzoate
    • CS-0365955
    • 627883-78-7
    • Inchi： 1S/C11H14O3/c1-4-14-11(12)9-6-5-7-10(13-3)8(9)2/h5-7H,4H2,1-3H3
    • InChI Key： BPRNAMDJLZPERJ-UHFFFAOYSA-N
    • SMILES： O(C)C1=CC=CC(C(=O)OCC)=C1C

Computed Properties

  • Exact Mass: 194.09432
  • Monoisotopic Mass: 194.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 191
  • 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: 2.5
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Benzoic acid, 3-methoxy-2-methyl-, ethyl ester Pricemore >>

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