Cas no 819077-62-8 (1-Naphthalenecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-)

1-Naphthalenecarboxylic acid, 4-[(4-carboxyphenyl)methyl]- structure
819077-62-8 structure
Product Name:1-Naphthalenecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-
CAS No:819077-62-8
MF:C19H14O4
MW:306.312065601349
CID:702615
PubChem ID:58669179
Update Time:2025-04-19

1-Naphthalenecarboxylic acid, 4-[(4-carboxyphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-
    • 4-[(4-carboxyphenyl)methyl]naphthalene-1-carboxylic acid
    • 4-(4-Carboxybenzyl)-1-naphthoic acid
    • 819077-62-8
    • DTXSID40729642
    • Inchi: 1S/C19H14O4/c20-18(21)13-7-5-12(6-8-13)11-14-9-10-17(19(22)23)16-4-2-1-3-15(14)16/h1-10H,11H2,(H,20,21)(H,22,23)
    • InChI Key: QUKHFIUSGKXYAL-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=C(CC2C=CC(C(=O)O)=CC=2)C2C=CC=CC=21)=O

Computed Properties

  • Exact Mass: 306.08920892g/mol
  • Monoisotopic Mass: 306.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 439
  • 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: 4.1
  • Topological Polar Surface Area: 74.6?2
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