Cas no 51028-83-2 ([1,1'-Biphenyl]-3-aceticacid, 5-methoxy-)

[1,1'-Biphenyl]-3-aceticacid, 5-methoxy- structure
51028-83-2 structure
Product Name:[1,1'-Biphenyl]-3-aceticacid, 5-methoxy-
CAS No:51028-83-2
MF:C15H14O3
MW:242.269864559174
CID:370493
PubChem ID:39870
Update Time:2025-04-19

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

Names and Identifiers

    • [1,1'-Biphenyl]-3-aceticacid, 5-methoxy-
    • 2-(3-methoxy-5-phenylphenyl)acetic acid
    • 5-Methoxy-3-biphenylacetic acid
    • 3-BIPHENYLACETIC ACID, 5-METHOXY-
    • DTXSID40199028
    • CHEMBL139046
    • 51028-83-2
    • BRN 2116264
    • Inchi: 1S/C15H14O3/c1-18-14-8-11(9-15(16)17)7-13(10-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,16,17)
    • InChI Key: RNTIGDWQNJQAKZ-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(CC(=O)O)=CC(=C1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 242.09432
  • Monoisotopic Mass: 242.094294
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 271
  • 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
  • Topological Polar Surface Area: 46.5
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3

Experimental Properties

  • Density: 1.175
  • Boiling Point: 413°C at 760 mmHg
  • Flash Point: 155.9°C
  • Refractive Index: 1.58
  • PSA: 46.53
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