Cas no 4281-17-8 (2,2'-ethylenedibenzoic acid)

2,2'-ethylenedibenzoic acid structure
2,2'-ethylenedibenzoic acid structure
Product Name:2,2'-ethylenedibenzoic acid
CAS No:4281-17-8
MF:C16H14O4
MW:270.279964923859
CID:1515309
PubChem ID:12525866
Update Time:2025-04-21

2,2'-ethylenedibenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,2'-ethylenedibenzoic acid
    • 2,2'-Ethylenebis(benzoic acid)
    • 4281-17-8
    • 2,2'-(Ethane-1,2-diyl)dibenzoic acid
    • FPHUCWKGLQCTGU-UHFFFAOYSA-N
    • SCHEMBL70392
    • 1,2-bis(2-carboxyphenyl)ethane
    • Inchi: 1S/C16H14O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
    • InChI Key: FPHUCWKGLQCTGU-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC=CC=1CCC1C=CC=CC=1C(=O)O)=O

Computed Properties

  • Exact Mass: 270.08922
  • Monoisotopic Mass: 270.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 318
  • 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: 2.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
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