Cas no 84370-82-1 (1,3-propanediyl disalicylate)

1,3-propanediyl disalicylate structure
1,3-propanediyl disalicylate structure
Product Name:1,3-propanediyl disalicylate
CAS No:84370-82-1
MF:C17H16O6
MW:316.305345535278
CID:888583
PubChem ID:7503587
Update Time:2025-04-19

1,3-propanediyl disalicylate Chemical and Physical Properties

Names and Identifiers

    • 1,3-propanediyl disalicylate
    • 3-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate
    • 2-hydroxybenzoic acid 3-[(2-hydroxyphenyl)-oxomethoxy]propyl ester
    • BDBM70119
    • RXRCNOIPYFJQPE-UHFFFAOYSA-N
    • SCHEMBL12083356
    • 2-hydroxybenzoic acid 3-salicyloyloxypropyl ester
    • CHEMBL1594914
    • trimethylene disalicylate
    • MLS001141919
    • NS00038494
    • AKOS001454962
    • 1,1'-(1,3-PROPANEDIYL) BIS(2-HYDROXYBENZOATE)
    • BENZOIC ACID, 2-HYDROXY-, 1,1'-(1,3-PROPANEDIYL) ESTER
    • EINECS 282-742-7
    • Z94561671
    • S599NXL75W
    • 3-(2-hydroxyphenyl)carbonyloxypropyl 2-oxidanylbenzoate
    • DTXSID50233346
    • UNII-S599NXL75W
    • 1,3-Propanediyl Bissalicylate
    • SMR000687938
    • cid_7503587
    • 84370-82-1
    • Inchi： 1S/C17H16O6/c18-14-8-3-1-6-12(14)16(20)22-10-5-11-23-17(21)13-7-2-4-9-15(13)19/h1-4,6-9,18-19H,5,10-11H2
    • InChI Key： RXRCNOIPYFJQPE-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1O)=O)CCCOC(C1C=CC=CC=1O)=O

Computed Properties

  • Exact Mass: 316.09468823g/mol
  • Monoisotopic Mass: 316.09468823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 361
  • 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: 4.7
  • Topological Polar Surface Area: 93.1?2

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