Cas no 1261901-31-8 (Methyl 3'-hydroxy-5'-methoxy[1,1'-biphenyl]-3-carboxylate)

Methyl 3'-hydroxy-5'-methoxy[1,1'-biphenyl]-3-carboxylate structure
1261901-31-8 structure
Product Name:Methyl 3'-hydroxy-5'-methoxy[1,1'-biphenyl]-3-carboxylate
CAS No:1261901-31-8
MF:C15H14O4
MW:258.269264698029
CID:2762266
PubChem ID:53220946
Update Time:2025-04-21

Methyl 3'-hydroxy-5'-methoxy[1,1'-biphenyl]-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1261901-31-8
    • DTXSID80685637
    • Methyl 3'-hydroxy-5'-methoxy[1,1'-biphenyl]-3-carboxylate
    • Inchi: 1S/C15H14O4/c1-18-14-8-12(7-13(16)9-14)10-4-3-5-11(6-10)15(17)19-2/h3-9,16H,1-2H3
    • InChI Key: KTPSSHHMUORXAL-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(=CC(=C1)C1C=CC=C(C(=O)OC)C=1)O

Computed Properties

  • Exact Mass: 258.08920892Da
  • Monoisotopic Mass: 258.08920892Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 305
  • 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: 3
  • Topological Polar Surface Area: 55.8?2
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