Cas no 61613-42-1 (Benzoic acid, 2-[(4-hydroxy-1-naphthalenyl)carbonyl]-)

Benzoic acid, 2-[(4-hydroxy-1-naphthalenyl)carbonyl]- structure
61613-42-1 structure
Product Name:Benzoic acid, 2-[(4-hydroxy-1-naphthalenyl)carbonyl]-
CAS No:61613-42-1
MF:C18H12O4
MW:292.285485267639
CID:472797
PubChem ID:71394095
Update Time:2025-04-19

Benzoic acid, 2-[(4-hydroxy-1-naphthalenyl)carbonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-[(4-hydroxy-1-naphthalenyl)carbonyl]-
    • 2-(4-hydroxynaphthalene-1-carbonyl)benzoic acid
    • DTXSID30815821
    • 2-(4-Hydroxy-1-naphthoyl)benzoic acid
    • 61613-42-1
    • Inchi: 1S/C18H12O4/c19-16-10-9-14(11-5-1-2-6-12(11)16)17(20)13-7-3-4-8-15(13)18(21)22/h1-10,19H,(H,21,22)
    • InChI Key: CGXYGULYDZQICD-UHFFFAOYSA-N
    • SMILES: OC1C=CC(C(C2C=CC=CC=2C(=O)O)=O)=C2C=CC=CC2=1

Computed Properties

  • Exact Mass: 292.07356
  • Monoisotopic Mass: 292.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 433
  • 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: 3.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
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