Cas no 2159-37-7 (Benzoic acid,2-(3-methylbenzoyl)-)

Benzoic acid,2-(3-methylbenzoyl)- structure
2159-37-7 structure
Product Name:Benzoic acid,2-(3-methylbenzoyl)-
CAS No:2159-37-7
MF:C15H12O3
MW:240.253984451294
CID:249864
PubChem ID:2801746
Update Time:2025-04-19

Benzoic acid,2-(3-methylbenzoyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-(3-methylbenzoyl)-
    • 2-(3-Methyl-benzoyl)-benzoesaeure
    • 2-(3-Methylbenzoyl)-naphthalin-1-carbonsaeure
    • 2-< 3-Methyl-benzoyl> -benzoesaeure
    • 2-m-Toluoyl-[1]naphthoesaeure
    • 2-m-toluoyl-[1]naphthoic acid
    • 2-m-Toluoyl-benzoesaeure
    • 2-m-toluoyl-benzoic acid
    • 2-m-Toluyl-benzoesaeure
    • 3'-Methyl-benzophenon-carbonsaeure-(2)
    • AC1L8B8W
    • carboxy-2 methyl-3' benzophenone
    • NSC409467
    • HMS2799N23
    • 2-(3-Methyl-benzoyl)-benzoic acid
    • Maybridge1_002061
    • 2-(3-methylbenzoyl)benzoic acid
    • SCHEMBL8611491
    • MLS000849813
    • DTXSID101304628
    • CCG-233819
    • CHEMBL1345708
    • HMS547F15
    • 2159-37-7
    • SMR000455831
    • BTB 10830
    • Oprea1_299136
    • Inchi： 1S/C15H12O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h2-9H,1H3,(H,17,18)
    • InChI Key： GVSLNMMHEAMXAJ-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1C(=O)O)C1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 240.07866
  • Monoisotopic Mass: 240.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 324
  • 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: 2.8
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.223±0.06 g/cm3(Predicted)
  • Boiling Point: 457.1±38.0 °C(Predicted)
  • PSA: 54.37
  • LogP: 1.01780

Benzoic acid,2-(3-methylbenzoyl)- Related Literature

  • 1. Formation of inclusion complexes of benzophenone derivatives; β-cyclodextrin studied by induced circular dichroism
    Norio Matsuura,Shunsuke Takenaka,Niichiro Tokura J. Chem. Soc. Perkin Trans. 2 1977 1419

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