Cas no 114804-76-1 (2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-, methyl ester)

2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-, methyl ester structure
114804-76-1 structure
Product Name:2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-, methyl ester
CAS No:114804-76-1
MF:C19H16O3
MW:292.328545570374
CID:1202729
PubChem ID:19990274
Update Time:2025-04-20

2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenecarboxylic acid, 6-(phenylmethoxy)-, methyl ester
    • 6-benzyloxynaphthalene-2-carboxylic acid methyl ester
    • methyl 6-phenylmethoxynaphthalene-2-carboxylate
    • JDLLBUYSOOMRRG-UHFFFAOYSA-N
    • 114804-76-1
    • Methyl 6-(benzyloxy)naphthalene-2-carboxylate
    • DB-359308
    • Methyl 6-benzyloxy-2-naphthoate
    • SCHEMBL1779167
    • DTXSID40601717
    • Inchi: 1S/C19H16O3/c1-21-19(20)17-8-7-16-12-18(10-9-15(16)11-17)22-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
    • InChI Key: JDLLBUYSOOMRRG-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1=CC=C2C=C(C(=O)OC)C=CC2=C1

Computed Properties

  • Exact Mass: 292.10998
  • Monoisotopic Mass: 292.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 362
  • 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: 4.5
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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