Cas no 68376-15-8 (2,3-Naphthalenedicarboxylic acid, 1-hydroxy-, diethyl ester)

2,3-Naphthalenedicarboxylic acid, 1-hydroxy-, diethyl ester structure
68376-15-8 structure
Product Name:2,3-Naphthalenedicarboxylic acid, 1-hydroxy-, diethyl ester
CAS No:68376-15-8
MF:C16H16O5
MW:288.295245170593
CID:393321
PubChem ID:12437705
Update Time:2025-04-19

2,3-Naphthalenedicarboxylic acid, 1-hydroxy-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2,3-Naphthalenedicarboxylic acid, 1-hydroxy-, diethyl ester
    • diethyl 1-hydroxynaphthalene-2,3-dicarboxylate
    • DTXSID70498258
    • 68376-15-8
    • Inchi: 1S/C16H16O5/c1-3-20-15(18)12-9-10-7-5-6-8-11(10)14(17)13(12)16(19)21-4-2/h5-9,17H,3-4H2,1-2H3
    • InChI Key: NKEJZPWBOBEICX-UHFFFAOYSA-N
    • SMILES: OC1C(C(=O)OCC)=C(C(=O)OCC)C=C2C=CC=CC2=1

Computed Properties

  • Exact Mass: 288.09978
  • Monoisotopic Mass: 288.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 381
  • 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: 3.8
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • PSA: 72.83
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