Cas no 63158-21-4 ((Naphthalen-1-yl)methyl naphthalene-1-carboxylate)

(Naphthalen-1-yl)methyl naphthalene-1-carboxylate structure
63158-21-4 structure
Product Name:(Naphthalen-1-yl)methyl naphthalene-1-carboxylate
CAS No:63158-21-4
MF:C22H16O2
MW:312.361246109009
CID:2789839
PubChem ID:71373274
Update Time:2025-04-21

(Naphthalen-1-yl)methyl naphthalene-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (Naphthalen-1-yl)methyl naphthalene-1-carboxylate
    • DTXSID10796104
    • 63158-21-4
    • Inchi: 1S/C22H16O2/c23-22(21-14-6-10-17-8-2-4-13-20(17)21)24-15-18-11-5-9-16-7-1-3-12-19(16)18/h1-14H,15H2
    • InChI Key: WWHDSNFSPONCDK-UHFFFAOYSA-N
    • SMILES: O(C(C1=CC=CC2C=CC=CC1=2)=O)CC1=CC=CC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 312.115029749Da
  • Monoisotopic Mass: 312.115029749Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 432
  • 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: 5.8
  • Topological Polar Surface Area: 26.3?2
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