Cas no 79622-99-4 (3-(3,4-Diethoxy-phenyl)-propionic acid)

3-(3,4-Diethoxy-phenyl)-propionic acid structure
79622-99-4 structure
Product Name:3-(3,4-Diethoxy-phenyl)-propionic acid
CAS No:79622-99-4
MF:C13H18O4
MW:238.279624462128
CID:1070639
PubChem ID:3161664
Update Time:2025-04-20

3-(3,4-Diethoxy-phenyl)-propionic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3,4-Diethoxy-phenyl)-propionic acid
    • 3-(3,4-diethoxyphenyl)propionic acid
    • CS-0299274
    • TCMDC-124302
    • AKOS000530859
    • SCHEMBL2840795
    • BB 0219915
    • SR-01000538772-1
    • RRPZDNYHNUEVSC-UHFFFAOYSA-N
    • F97584
    • Oprea1_813507
    • 79622-99-4
    • CHEMBL582632
    • 3,4-Diethoxyphenylpropionic acid
    • SR-01000538772
    • EN300-1457301
    • 3-(3,4-diethoxyphenyl)propanoic acid
    • EU-0086516
    • STK678720
    • DB-338858
    • MDL： MFCD03133474
    • Inchi： 1S/C13H18O4/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,14,15)
    • InChI Key： RRPZDNYHNUEVSC-UHFFFAOYSA-N
    • SMILES： O(CC)C1=C(C=CC(=C1)CCC(=O)O)OCC

Computed Properties

  • Exact Mass: 238.121
  • Monoisotopic Mass: 238.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 230
  • 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: 1.9
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 370.5±27.0 °C at 760 mmHg
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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