Cas no 28023-55-4 (1,3-Benzenedicarboxylicacid, 5-phenoxy-)

1,3-Benzenedicarboxylicacid, 5-phenoxy- structure
28023-55-4 structure
Product Name:1,3-Benzenedicarboxylicacid, 5-phenoxy-
CAS No:28023-55-4
MF:C14H10O5
MW:258.226204395294
CID:272081
PubChem ID:119792
Update Time:2025-04-19

1,3-Benzenedicarboxylicacid, 5-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylicacid, 5-phenoxy-
    • 5-phenoxybenzene-1,3-dicarboxylic acid
    • 5-Phenoxyisophthalic acid
    • SCHEMBL1768785
    • DTXSID4067355
    • 1,3-Benzenedicarboxylic acid, 5-phenoxy-
    • 28023-55-4
    • Inchi: 1S/C14H10O5/c15-13(16)9-6-10(14(17)18)8-12(7-9)19-11-4-2-1-3-5-11/h1-8H,(H,15,16)(H,17,18)
    • InChI Key: ZZMSWJDUUZUBNA-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1C=C(C(=O)O)C=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 258.0528
  • Monoisotopic Mass: 258.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 313
  • 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: 3.4
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • Density: 1.395
  • Boiling Point: 488.8°C at 760 mmHg
  • Flash Point: 190.5°C
  • Refractive Index: 1.638
  • PSA: 83.83
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