Cas no 40233-98-5 (Ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate)

Ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate structure
40233-98-5 structure
Product Name:Ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate
CAS No:40233-98-5
MF:C12H14O5
MW:238.236564159393
MDL:MFCD06201710
CID:332104
PubChem ID:170290
Update Time:2025-04-19

Ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate
    • Benzeneacetic acid,3,4-dimethoxy-a-oxo-,ethyl ester
    • Ethyl 3,4-diMethoxybenzoylforMate
    • ethyl 3,4-dimethoxyphenylglyoxylate
    • Ethyl 3,4-dimethoxybenzoylcarboxylate
    • SCHEMBL2124837
    • AKOS006021928
    • F79992
    • NS00030744
    • Benzeneacetic acid, 3,4-dimethoxy-alpha-oxo-, ethyl ester
    • EINECS 254-852-5
    • Benzeneacetic acid, 3,4-dimethoxy-.alpha.-oxo-, ethyl ester
    • ethyl (3,4-dimethoxyphenyl)(oxo)acetate
    • ethyl2-(3,4-dimethoxyphenyl)-2-oxoacetate
    • YBYLSOVTGVAJDY-UHFFFAOYSA-N
    • MFCD06201710
    • CS-0332414
    • 40233-98-5
    • DTXSID6068220
    • MDL： MFCD06201710
    • Inchi： 1S/C12H14O5/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7H,4H2,1-3H3
    • InChI Key： YBYLSOVTGVAJDY-UHFFFAOYSA-N
    • SMILES： O(C)C1=C(C=CC(C(C(=O)OCC)=O)=C1)OC

Computed Properties

  • Exact Mass: 238.08412354g/mol
  • Monoisotopic Mass: 238.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 276
  • 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: 2.2
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 355.1±32.0 °C at 760 mmHg
  • Flash Point: 156.9±25.2 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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