Cas no 51028-91-2 ([1,1'-Biphenyl]-3-aceticacid, 4',5-dimethoxy-)

[1,1'-Biphenyl]-3-aceticacid, 4',5-dimethoxy- structure
51028-91-2 structure
Product Name:[1,1'-Biphenyl]-3-aceticacid, 4',5-dimethoxy-
CAS No:51028-91-2
MF:C16H16O4
MW:272.295845031738
CID:369965
PubChem ID:39877
Update Time:2025-04-19

[1,1'-Biphenyl]-3-aceticacid, 4',5-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-aceticacid, 4',5-dimethoxy-
    • 2-[3-methoxy-5-(4-methoxyphenyl)phenyl]acetic acid
    • 4',5-Dimethoxy-3-biphenylacetic acid
    • BRN 2131958
    • CHEMBL138843
    • 3-BIPHENYLACETIC ACID, 4',5-DIMETHOXY-
    • 51028-91-2
    • DTXSID10199035
    • Inchi: 1S/C16H16O4/c1-19-14-5-3-12(4-6-14)13-7-11(9-16(17)18)8-15(10-13)20-2/h3-8,10H,9H2,1-2H3,(H,17,18)
    • InChI Key: RIPSCSMJHGMYHX-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(CC(=O)O)=CC(=C1)C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 272.10488
  • Monoisotopic Mass: 272.104859
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 310
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 55.8

Experimental Properties

  • Density: 1.183
  • Boiling Point: 445.1°C at 760 mmHg
  • Flash Point: 164.8°C
  • Refractive Index: 1.568
  • PSA: 55.76
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