Cas no 1173022-36-0 (2-(4-aminophenyl)acetic acid)

2-(4-aminophenyl)acetic acid structure
2-(4-aminophenyl)acetic acid structure
Product Name:2-(4-aminophenyl)acetic acid
CAS No:1173022-36-0
MF:C8H9NO2
MW:152.155216932297
CID:2615305
PubChem ID:66995528
Update Time:2025-04-21

2-(4-aminophenyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-aminophenyl)acetic acid
    • (4-Aminophenyl)(1-~13~C)acetic acid
    • SCHEMBL1331730
    • DTXCID40686923
    • 1173022-36-0
    • 2-(4-Aminophenyl)acetic acid-1-13C, 99 atom % 13C
    • DTXSID40736179
    • Inchi: 1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)/i8+1
    • InChI Key: CSEWAUGPAQPMDC-VJJZLTLGSA-N
    • SMILES: O[13C](CC1C=CC(=CC=1)N)=O

Computed Properties

  • Exact Mass: 152.066683365Da
  • Monoisotopic Mass: 152.066683365Da
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 139
  • 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: 0.9
  • Topological Polar Surface Area: 63.3?2
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