Cas no 550-97-0 (2-Naphthol salicylate)

2-Naphthol salicylate structure
2-Naphthol salicylate structure
Product Name:2-Naphthol salicylate
CAS No:550-97-0
MF:C17H12O3
MW:264.275384902954
CID:943333
PubChem ID:504536
Update Time:2025-04-19

2-Naphthol salicylate Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthol salicylate
    • 1-Naphthyl Salicylate
    • 2-Hydroxybenzoic Acid 1-Naphthalenyl Ester
    • a-Naphthol Salicylate
    • a-Naphthyl Salicylate
    • Salicylic acid, 1-naphthyl ester
    • 1-Naphthyl salicylate [MI]
    • 1-naphthyl 2-hydroxybenzoate
    • alpha-Naphthyl salicylate
    • naphthalene salicylate
    • 1-Naphthyl salicylate; Alphol; alpha-Naphthol salicylate; alpha-Naphthyl salicylate
    • 1-Naphthol, salicylate
    • Q27251130
    • 109J440146
    • .ALPHA.-NAPHTHYL SALICYLATE
    • .ALPHA.-NAPHTHOL SALICYLATE
    • Benzoic acid, 2-hydroxy-, 1-naphthalenyl ester
    • 1-Naphthyl salicylate; Alphol; -Naphthol salicylate; -Naphthyl salicylate
    • naphthalen-1-yl 2-hydroxybenzoate
    • alpha-Naphthol salicylate
    • ALPHOL
    • 550-97-0
    • UNII-109J440146
    • SCHEMBL25135
    • Inchi： 1S/C17H12O3/c18-15-10-4-3-9-14(15)17(19)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,18H
    • InChI Key： CVRCFLFEGNKMEC-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1O)=O)C1=CC=CC2=CC=CC=C21

Computed Properties

  • Exact Mass: 264.07866
  • Monoisotopic Mass: 264.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 341
  • 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: 4.6
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.1852 (rough estimate)
  • Melting Point: 83°C
  • Boiling Point: 367.51°C (rough estimate)
  • Flash Point: 179.8°C
  • Refractive Index: 1.5490 (estimate)
  • PSA: 46.53

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