Cas no 66417-42-3 (methyl (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoate)

methyl (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoate structure
66417-42-3 structure
Product Name:methyl (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CAS No:66417-42-3
MF:C12H14O4
MW:222.237164020538
CID:1710124
PubChem ID:11481452
Update Time:2025-04-21

methyl (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, methyl ester, (E)-
    • (E)-2,4-dimethoxycinnamic acid methyl ester
    • (E)-2,4-dimethoxy-cinnamic acid methyl ester
    • 2,4-dimethoxycinnamic acid methyl ester
    • 3-(2,4-dimethoxyphenyl)acrylic acid methyl ester
    • methyl 3-(2,4-dimethoxyphenyl)acrylate
    • methyl 3-(2,4-dimethoxyphenyl)propenoate
    • methyl (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
    • AKOS017259741
    • 66417-42-3
    • OPFJHFOFMZFPKX-FNORWQNLSA-N
    • SCHEMBL8686650
    • EN300-1453737
    • 3-(2,4-Dimethoxy-phenyl)-acrylic acid methyl ester
    • trans-2,4-Dimethoxycinnamic acid, methyl ester
    • SCHEMBL7959387
    • CHEMBL2252101
    • Inchi: 1S/C12H14O4/c1-14-10-6-4-9(11(8-10)15-2)5-7-12(13)16-3/h4-8H,1-3H3/b7-5+
    • InChI Key: OPFJHFOFMZFPKX-FNORWQNLSA-N
    • SMILES: O(C)C1C=C(C=CC=1/C=C/C(=O)OC)OC

Computed Properties

  • Exact Mass: 222.08900
  • Monoisotopic Mass: 222.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 249
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76000
  • LogP: 1.89000

methyl (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoate Pricemore >>

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