Cas no 5628-62-6 (Benzoic acid,4-methoxy-2,3-dimethyl-, methyl ester)

Benzoic acid,4-methoxy-2,3-dimethyl-, methyl ester structure
5628-62-6 structure
Product Name:Benzoic acid,4-methoxy-2,3-dimethyl-, methyl ester
CAS No:5628-62-6
MF:C11H14O3
MW:194.227063655853
CID:383849
PubChem ID:20461922
Update Time:2024-03-02

Benzoic acid,4-methoxy-2,3-dimethyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-methoxy-2,3-dimethyl-, methyl ester
    • 4-(3-benzyl-2-phenylimino-1,3-thiazol-4-yl)-2,6-ditert-butylphenol
    • 4-[(2Z)-3-Benzyl-2-(phenylimino)-2,3-dihydro-1,3-thiazol-4-yl]-2,6-di-tert-butylphenol
    • phenol, 4-[(2Z)-2,3-dihydro-2-(phenylimino)-3-(phenylmethyl)-4-thiazolyl]-2,6-bis(1,1-dimethylethyl)-
    • Methyl 4-methoxy-2,3-dimethylbenzoate
    • Methyl 2,3-dimethyl-4-methoxybenzoate
    • Inchi: 1S/C11H14O3/c1-7-8(2)10(13-3)6-5-9(7)11(12)14-4/h5-6H,1-4H3
    • InChI Key: WTVBDVKEZAAPBM-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=CC=C(OC)C(C)=C1C

Computed Properties

  • Exact Mass: 470.23942
  • 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: 3
  • 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: 2.5
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.056±0.06 g/cm3(Predicted)
  • Melting Point: 61-62 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
  • Boiling Point: 288.7±35.0 °C(Predicted)
  • PSA: 35.83

Benzoic acid,4-methoxy-2,3-dimethyl-, methyl ester Pricemore >>

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