Cas no 12040-48-1 (2-Propenoic acid,3-[1,1'-biphenyl]-4-yl-, bismuth(3+) salt (3:1))

2-Propenoic acid,3-[1,1'-biphenyl]-4-yl-, bismuth(3+) salt (3:1) structure
12040-48-1 structure
Product Name:2-Propenoic acid,3-[1,1'-biphenyl]-4-yl-, bismuth(3+) salt (3:1)
CAS No:12040-48-1
MF:C45H33BiO6
MW:878.720309972763
CID:214075
PubChem ID:6433560
Update Time:2025-04-19

2-Propenoic acid,3-[1,1'-biphenyl]-4-yl-, bismuth(3+) salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,3-[1,1'-biphenyl]-4-yl-, bismuth(3+) salt (3:1)
    • Bismuth 3-(4-biphenylyl)acrylate
    • 2-Propenoic acid, 3-(1,1'-biphenyl)-4-yl-, bismuth(3+) salt (9CI)
    • Bi-Flogan
    • Bismuth diphenylylacrylate
    • bismuth(3+) tris[(2E)-3-biphenyl-4-ylprop-2-enoate]
    • Cinnamic acid, p-phenyl-, bismuth(3+) salt
    • Difenililacrilato di bismuto
    • Difenililacrilato di bismuto [Italian]
    • M.G. 8001
    • Sale di bismuto dell'acido difenililacrilico
    • Sale di bismuto dell'acido difenililacrilico [Italian]
    • 2-Propenoic acid, 3-(1,1'-biphenyl)-4-yl-, bismuth(3+) salt
    • bismuth;(E)-3-(4-phenylphenyl)prop-2-enoate
    • 12040-48-1
    • Inchi: 1S/3C15H12O2.Bi/c3*16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13;/h3*1-11H,(H,16,17);/q;;;+3/p-3/b3*11-8+;
    • InChI Key: LAFSZQISGAMVDC-ODUKAAFYSA-K
    • SMILES: [Bi+3].[O-]C(/C=C/C1C=CC(=CC=1)C1C=CC=CC=1)=O.[O-]C(/C=C/C1C=CC(=CC=1)C1C=CC=CC=1)=O.[O-]C(/C=C/C1C=CC(=CC=1)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 878.20779
  • Monoisotopic Mass: 878.208097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 6
  • Complexity: 263
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 120

Experimental Properties

  • Density: g/cm3
  • Boiling Point: 412.9°Cat760mmHg
  • Flash Point: 308°C
  • PSA: 120.39
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