Cas no 207800-50-8 (1,5-Diethyl 1,5-naphthalenedicarboxylate)

1,5-Diethyl 1,5-naphthalenedicarboxylate structure
207800-50-8 structure
Product Name:1,5-Diethyl 1,5-naphthalenedicarboxylate
CAS No:207800-50-8
MF:C16H16O4
MW:272.295845031738
CID:2736901
PubChem ID:19918777
Update Time:2025-04-21

1,5-Diethyl 1,5-naphthalenedicarboxylate Chemical and Physical Properties

Names and Identifiers

    • DTXSID201276737
    • 207800-50-8
    • SCHEMBL9150759
    • 1,5-Diethyl 1,5-naphthalenedicarboxylate
    • Inchi: 1S/C16H16O4/c1-3-19-15(17)13-9-5-8-12-11(13)7-6-10-14(12)16(18)20-4-2/h5-10H,3-4H2,1-2H3
    • InChI Key: KOQRDRPMKDCBJF-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CC=C2C(C(=O)OCC)=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 272.10485899Da
  • Monoisotopic Mass: 272.10485899Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • 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: 3.6
  • Topological Polar Surface Area: 52.6?2
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