Cas no 89926-33-0 (1,2-Benzenedicarboxylic acid, 4-hydroxy-, dipropyl ester)

1,2-Benzenedicarboxylic acid, 4-hydroxy-, dipropyl ester structure
89926-33-0 structure
Product Name:1,2-Benzenedicarboxylic acid, 4-hydroxy-, dipropyl ester
CAS No:89926-33-0
MF:C14H18O5
MW:266.289724826813
CID:585229
PubChem ID:20040789
Update Time:2025-04-19

1,2-Benzenedicarboxylic acid, 4-hydroxy-, dipropyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylic acid, 4-hydroxy-, dipropyl ester
    • dipropyl 4-hydroxybenzene-1,2-dicarboxylate
    • dipropyl 4-hydroxyphthalate
    • 89926-33-0
    • SCHEMBL10569979
    • DTXSID70601927
    • Inchi: 1S/C14H18O5/c1-3-7-18-13(16)11-6-5-10(15)9-12(11)14(17)19-8-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3
    • InChI Key: YBDDIPXKLLBBCQ-UHFFFAOYSA-N
    • SMILES: O(C(C1C=C(C=CC=1C(=O)OCCC)O)=O)CCC

Computed Properties

  • Exact Mass: 266.11542367g/mol
  • Monoisotopic Mass: 266.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 8
  • Complexity: 302
  • 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: 3.1
  • Topological Polar Surface Area: 72.8?2
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