Cas no 4445-39-0 (2-Aminobiphenyl-3-carboxylic acid)

2-Aminobiphenyl-3-carboxylic acid structure
4445-39-0 structure
Product Name:2-Aminobiphenyl-3-carboxylic acid
CAS No:4445-39-0
MF:C13H11NO2
MW:213.231943368912
CID:2827825
PubChem ID:14044025
Update Time:2025-04-21

2-Aminobiphenyl-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL758071
    • 4445-39-0
    • 2-Amino-[1,1'-biphenyl]-3-carboxylic acid
    • phenylo-aminobenzoic acid
    • 2-Aminobiphenyl-3-carboxylic acid
    • MB09445
    • AKOS005133149
    • Inchi: 1S/C13H11NO2/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h1-8H,14H2,(H,15,16)
    • InChI Key: YMRNZNHFJGQDCB-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1N)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 213.078978594Da
  • Monoisotopic Mass: 213.078978594Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 248
  • 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: 2.9
  • Topological Polar Surface Area: 63.3?2
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