Cas no 168618-46-0 (3-(2-Naphthyl)benzoic Acid)

3-(2-Naphthyl)benzoic Acid structure
3-(2-Naphthyl)benzoic Acid structure
Product Name:3-(2-Naphthyl)benzoic Acid
CAS No:168618-46-0
MF:C17H12O2
MW:248.275984764099
MDL:MFCD31382269
CID:905071
PubChem ID:2760150
Update Time:2025-04-19

3-(2-Naphthyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-(6-(Methoxycarbonyl)naphthalen-2-yl)benzoic acid
    • 3-(Naphthalen-2-yl)benzoic acid
    • 3-(6-Hydroxynaphthalen-2-yl)benzoic acid
    • 6-(4-Carboxyphenyl)-2-naphthoic acid
    • TVC
    • A926939
    • CHEMBL4159328
    • CS-0205122
    • 168618-46-0
    • 3-naphthalen-2-ylbenzoic Acid
    • Benzoic acid, 3-(2-naphthalenyl)-
    • 3-(Naphthalen-2-yl)benzoicacid
    • s10176
    • MFCD04117444
    • AS-2101
    • AKOS005821370
    • SCHEMBL4731552
    • 3-Naphthalen-2-yl-benzoic acid
    • 3-(2-Naphthyl)benzoic Acid
    • MDL： MFCD31382269
    • Inchi： 1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19)
    • InChI Key： QOPDOKREBSOVNG-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=CC(=C1)C1C=CC2C=CC=CC=2C=1)=O

Computed Properties

  • Exact Mass: 306.08922
  • Monoisotopic Mass: 248.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 447
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 63.6

3-(2-Naphthyl)benzoic Acid Security Information

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