Cas no 7150-16-5 (2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]diacetic acid)

2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]diacetic acid structure
7150-16-5 structure
Product Name:2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]diacetic acid
CAS No:7150-16-5
MF:C21H24O6
MW:372.411666870117
CID:2626785
PubChem ID:252352
Update Time:2025-04-21

2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]diacetic acid Chemical and Physical Properties

Names and Identifiers

    • 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]diacetic acid
    • AC1N4STA; Acetamide, N,N'-[1,5-pentanediylbis(oxy-4,1-phenylene)]bis-; ACMC-20m70g; CTK0G6505; AC1Q1KZN; 1,5-bis-(4-acetylamino-phenoxy)-pentane; 1,5-bis-(4-carboxymethyl-phenoxy)-pentane; 104209-30-5; N-(4-{[5-(4-acetamidophenoxy)pentyl]oxy}phenyl)acetamide;
    • 7150-16-5
    • DTXSID20991941
    • 2,2'-[Pentane-1,5-diylbis(oxy-4,1-phenylene)]diacetic acid
    • NSC74100
    • CHEMBL3325991
    • NSC-74100
    • Inchi： 1S/C21H24O6/c22-20(23)14-16-4-8-18(9-5-16)26-12-2-1-3-13-27-19-10-6-17(7-11-19)15-21(24)25/h4-11H,1-3,12-15H2,(H,22,23)(H,24,25)
    • InChI Key： MTLHLUGTAHWVIL-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(CC(=O)O)=CC=1)CCCCCOC1C=CC(CC(=O)O)=CC=1

Computed Properties

  • Exact Mass: 372.15732
  • Monoisotopic Mass: 372.157
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 12
  • Complexity: 396
  • 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: 3.6
  • Topological Polar Surface Area: 93.1?2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 607.4°C at 760 mmHg
  • Flash Point: 213.4°C
  • Refractive Index: 1.574
  • PSA: 93.06

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