Cas no 39594-44-0 (1,1'-(5-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione)

1,1'-(5-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione structure
39594-44-0 structure
Product Name:1,1'-(5-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione
CAS No:39594-44-0
MF:C15H10N2O4
MW:282.250903606415
CID:924728
PubChem ID:20080702
Update Time:2025-04-19

1,1'-(5-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione Chemical and Physical Properties

Names and Identifiers

    • 1,1'-(5-methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione
    • 1-[3-(2,5-dioxopyrrol-1-yl)-5-methylphenyl]pyrrole-2,5-dione
    • 1,1'-(5-methylbenzene-1,3-diyl)bis(1H-pyrrole-2,5-dione)
    • 39594-44-0
    • DTXSID50192707
    • SCHEMBL144792
    • NS00030621
    • VZAIEIIAJMQYPB-UHFFFAOYSA-N
    • EINECS 254-535-1
    • Inchi: 1S/C15H10N2O4/c1-9-6-10(16-12(18)2-3-13(16)19)8-11(7-9)17-14(20)4-5-15(17)21/h2-8H,1H3
    • InChI Key: VZAIEIIAJMQYPB-UHFFFAOYSA-N
    • SMILES: O=C1C=CC(N1C1C=C(C)C=C(C=1)N1C(C=CC1=O)=O)=O

Computed Properties

  • Exact Mass: 282.0641
  • Monoisotopic Mass: 282.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 507
  • 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: 0.5
  • Topological Polar Surface Area: 74.8?2

Experimental Properties

  • PSA: 74.76
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