Cas no 75852-46-9 ([1,1'-Biphenyl]-3-aceticacid, 5-amino-)

[1,1'-Biphenyl]-3-aceticacid, 5-amino- structure
75852-46-9 structure
Product Name:[1,1'-Biphenyl]-3-aceticacid, 5-amino-
CAS No:75852-46-9
MF:C14H13NO2
MW:227.258523702621
CID:575174
PubChem ID:53372
Update Time:2025-04-19

[1,1'-Biphenyl]-3-aceticacid, 5-amino- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-aceticacid, 5-amino-
    • 2-(3-amino-5-phenylphenyl)acetic acid
    • 5-Amino-3-biphenylacetic acid
    • 3-BIPHENYLACETIC ACID, 5-AMINO-
    • BRN 5262670
    • CHEMBL142902
    • 75852-46-9
    • DTXSID70226750
    • Inchi: 1S/C14H13NO2/c15-13-7-10(8-14(16)17)6-12(9-13)11-4-2-1-3-5-11/h1-7,9H,8,15H2,(H,16,17)
    • InChI Key: HROOQWGZDYRPIN-UHFFFAOYSA-N
    • SMILES: OC(CC1C=C(C=C(C2C=CC=CC=2)C=1)N)=O

Computed Properties

  • Exact Mass: 227.09469
  • Monoisotopic Mass: 227.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 261
  • 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: 2.3
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32
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