Cas no 281232-92-6 ([1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester)

[1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester structure
281232-92-6 structure
Product Name:[1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester
CAS No:281232-92-6
MF:C14H11NO3
MW:241.242043733597
CID:248330
Update Time:2024-01-26

[1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,4'-dicarboxylicacid, 2-methyl ester
    • 4-(2-Carbamoylphenyl)benzoic acid
    • 2'-(Methoxycarbonyl)-1,1'-biphenyl-4-carboxylicacid
    • 2'-(Methoxycarbonyl)biphenyl-4-carboxylic acid
    • Biphenyl-2,4'-dicarboxylicacid 2-methyl ester
    • Methyl 2-(4-carboxyphenyl)benzoate
    • 2-Methyl [1,1'-biphenyl]-2,4'-dicarboxylate
    • MDL: MFCD06802566
    • Inchi: 1S/C14H11NO3/c15-13(16)12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(17)18/h1-8H,(H2,15,16)(H,17,18)
    • InChI Key: UKCSLEZAFXRSQQ-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC=C(C2=CC=CC=C2C(=O)N)C=C1

Computed Properties

  • Exact Mass: 241.07400
  • Monoisotopic Mass: 241.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 321
  • 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: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 80.4A^2

Experimental Properties

  • PSA: 80.39000
  • LogP: 2.85100
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