Cas no 84386-10-7 (2-Butenoic acid,4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)- (9CI))

2-Butenoic acid,4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)- (9CI) structure
84386-10-7 structure
Product Name:2-Butenoic acid,4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)- (9CI)
CAS No:84386-10-7
MF:C13H14O6
MW:266.246664524078
CID:723648
PubChem ID:6448224
Update Time:2025-04-19

2-Butenoic acid,4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)- (9CI)
    • (E)-4-oxo-4-(2,4,5-trimethoxyphenyl)but-2-enoic acid
    • 2-Butenoic acid, 4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)-
    • (E)-4-Oxo-4-(2,4,5-trimethoxyphenyl)-2-butenoic acid
    • 84386-10-7
    • (E)-4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-butenoic acid
    • SCHEMBL11101263
    • Inchi： 1S/C13H14O6/c1-17-10-7-12(19-3)11(18-2)6-8(10)9(14)4-5-13(15)16/h4-7H,1-3H3,(H,15,16)/b5-4+
    • InChI Key： JBXWNCIBOAJHPH-SNAWJCMRSA-N
    • SMILES： O(C)C1C=C(C(=CC=1C(/C=C/C(=O)O)=O)OC)OC

Computed Properties

  • Exact Mass: 266.07903816g/mol
  • Monoisotopic Mass: 266.07903816g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 351
  • 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: 1.3
  • Topological Polar Surface Area: 82.1?2

2-Butenoic acid,4-oxo-4-(2,4,5-trimethoxyphenyl)-, (E)- (9CI) Related Literature

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