Cas no 862821-16-7 (1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid)

1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid structure
862821-16-7 structure
Product Name:1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid
CAS No:862821-16-7
MF:C12H14O4
MW:222.237164020538
MDL:MFCD08442257
CID:842150
PubChem ID:11629937
Update Time:2024-12-09

1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid
    • 1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
    • 1-(3,4-DIMETHOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
    • AB90502
    • 862821-16-7
    • SCHEMBL77742
    • SY034321
    • A923581
    • AC6996
    • AKOS000124780
    • BS-50650
    • CS-0313403
    • FT-0751305
    • 1-(3,4-dimethoxyphenyl)cyclopropane carboxylic acid
    • 1-(3,4-dimethoxyphenyl)cyclopropanecarboxylicacid
    • DTXSID40469718
    • MFCD08442257
    • Z361883632
    • DB-076592
    • MDL: MFCD08442257
    • Inchi: 1S/C12H14O4/c1-15-9-4-3-8(7-10(9)16-2)12(5-6-12)11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
    • InChI Key: FELRPROQUKLRFC-UHFFFAOYSA-N
    • SMILES: OC(C1(C2C=CC(=C(C=2)OC)OC)CC1)=O

Computed Properties

  • Exact Mass: 222.08900
  • Monoisotopic Mass: 222.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 272
  • 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: 1.7
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 376.4±42.0 °C at 760 mmHg
  • Flash Point: 146.0±21.4 °C
  • Refractive Index: 1.568
  • PSA: 55.76000
  • LogP: 1.82000
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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