Cas no 5273-84-7 ((E)-1,2,3-trimethoxy-5-(prop-1-en-1-yl)benzene)

(E)-1,2,3-trimethoxy-5-(prop-1-en-1-yl)benzene structure
5273-84-7 structure
Product Name:(E)-1,2,3-trimethoxy-5-(prop-1-en-1-yl)benzene
CAS No:5273-84-7
MF:C12H16O3
MW:208.253643989563
CID:2018978
PubChem ID:5851118
Update Time:2025-04-21

(E)-1,2,3-trimethoxy-5-(prop-1-en-1-yl)benzene Chemical and Physical Properties

Names and Identifiers

    • (E)-1,2,3-trimethoxy-5-(prop-1-en-1-yl)benzene
    • (E)-1,2,3-trimethoxy-5-(prop-1-enyl)benzene
    • (E)-1-(3,4,5-trimethoxyphenyl)-1-propene
    • (E)-1-(3,4,5-trimethoxyphenyl)prop-1-ene
    • (E)-5-prop-1'-enyl-1,2,3-trimethoxybenzene
    • 1,2,3-trimethoxy-5-(1-propenyl)benzene
    • 1,2,3-trimethoxy-5-(E)-propenyl-benzene
    • Isoelemicin
    • trans-Isoelemicin
    • (Z)-Isoelemicin
    • ISOELEMICINE, CIS-
    • SCHEMBL5166687
    • YZ13RPH3PQ
    • 5273-84-7
    • CISISOELEMICIN
    • (Z)-1,2,3-Trimethoxy-5-propenylbenzene
    • BENZENE, 1,2,3-TRIMETHOXY-5-(1Z)-1-PROPEN-1-YL-
    • 1,2,3-TRIMETHOXY-5-(1Z)-1-PROPEN-1-YLBENZENE
    • DTXSID301347610
    • Isoelemicine, (Z)-
    • Benzene, 1,2,3-trimethoxy-5-propenyl-, (Z)-
    • (Z )-Isoelimicin
    • RRXOQHQFJOQLQR-WAYWQWQTSA-N
    • UNII-YZ13RPH3PQ
    • Inchi: 1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5-
    • InChI Key: RRXOQHQFJOQLQR-WAYWQWQTSA-N
    • SMILES: O(C)C1C(=CC(/C=C\C)=CC=1OC)OC

Computed Properties

  • Exact Mass: 305.112
  • Monoisotopic Mass: 305.112
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 452
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.5
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • Density: 1.41
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
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