Cas no 56842-95-6 (Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid)

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid structure
56842-95-6 structure
Product Name:Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CAS No:56842-95-6
MF:C7H8O4
MW:156.136022567749
MDL:MFCD20621127
CID:2092153
PubChem ID:12820283
Update Time:2025-04-21

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
    • 1,3-Bicyclo[1.1.1]pentanedicarboxylic acid
    • AK158856
    • SB10647
    • PB36105
    • FCH1199895
    • OR312111
    • ST1110787
    • W2901
    • 1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid
    • CS-W000132
    • DB-197865
    • MFCD20621127
    • trans-Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
    • SCHEMBL9142496
    • AKOS024255977
    • SY097083
    • GS-8006
    • EN300-90587
    • starbld0025564
    • AKOS027469909
    • 56842-95-6
    • EN300-7710861
    • 867-488-2
    • FB33678
    • Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid
    • MDL: MFCD20621127
    • Inchi: 1S/C7H8O4/c8-4(9)6-1-7(2-6,3-6)5(10)11/h1-3H2,(H,8,9)(H,10,11)
    • InChI Key: SBLRPOGZAJTJEG-UHFFFAOYSA-N
    • SMILES: OC(C12CC(C(=O)O)(C1)C2)=O

Computed Properties

  • Exact Mass: 156.04225873g/mol
  • Monoisotopic Mass: 156.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 74.6
  • XLogP3: -0.4

Experimental Properties

  • Density: 1.864±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 260 oC (sublm)
  • Boiling Point: 205.3±20.0 oC (760 Torr),
  • Flash Point: 92.2±18.3 oC,
  • Solubility: Slightly soluble (30 g/l) (25 o C),

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid Security Information

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