Cas no 6768-22-5 (diethyl (2-methoxybenzylidene)propanedioate)

diethyl (2-methoxybenzylidene)propanedioate structure
6768-22-5 structure
Product Name:diethyl (2-methoxybenzylidene)propanedioate
CAS No:6768-22-5
MF:C15H18O5
MW:278.300425052643
CID:966668
PubChem ID:263261
Update Time:2025-04-19

diethyl (2-methoxybenzylidene)propanedioate Chemical and Physical Properties

Names and Identifiers

    • diethyl (2-methoxybenzylidene)propanedioate
    • 2-Methoxybenzylidenemalonic acid diethyl ester
    • diethyl 2-[(2-methoxyphenyl)methylidene]propanedioate
    • (2-Methoxy-benzyliden)-malonsaeure-diaethylester
    • (2-methoxy-benzylidene)-malonic acid diethyl ester
    • 2-Methoxy-benzalmalonsaeure-diaethylester
    • AC1L69B9
    • AC1Q63FI
    • Diethyl (2-methoxybenzylidene)malonate
    • diethyl 2-(2-methoxybenzylidene)malonate
    • diethyl 2-methoxybenzylidenemalonate
    • diethyl o-methoxybenzylidenemalonate
    • NCIOpen2_006190
    • NSC637150
    • NSC97646
    • SureCN9494896
    • SMR000312156
    • 6768-22-5
    • SCHEMBL9494896
    • cid_263261
    • AKOS002134297
    • MLS000682799
    • SR-01000076618
    • diethyl 2-[(2-methoxyphenyl)methylene]propanedioate
    • NSC-97646
    • SR-01000076618-1
    • 2-o-anisylidenemalonic acid diethyl ester
    • CHEMBL1486500
    • HMS2596G05
    • 2-[(2-methoxyphenyl)methylidene]propanedioic acid diethyl ester
    • Propanedioic acid, [(2-methoxyphenyl)methylene]-, diethyl ester
    • Diethyl 2-(2-methoxybenzylidene)malonate #
    • 1,3-DIETHYL 2-[(2-METHOXYPHENYL)METHYLIDENE]PROPANEDIOATE
    • BDBM79422
    • DTXSID40294688
    • Opera_ID_1648
    • NSC-637150
    • Inchi: 1S/C15H18O5/c1-4-19-14(16)12(15(17)20-5-2)10-11-8-6-7-9-13(11)18-3/h6-10H,4-5H2,1-3H3
    • InChI Key: SVKFJFJTWYOZCB-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC=CC=1/C=C(\C(=O)OCC)/C(=O)OCC

Computed Properties

  • Exact Mass: 278.11544
  • Monoisotopic Mass: 278.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 341
  • 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: 3.3
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Density: 1.141
  • Boiling Point: 354°C at 760 mmHg
  • Flash Point: 152.9°C
  • Refractive Index: 1.53
  • PSA: 61.83
  • LogP: 2.20480
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