Cas no 59-07-4 (Benzoic acid, 4-amino-2-ethoxy-)

Benzoic acid, 4-amino-2-ethoxy- structure
59-07-4 structure
Product Name:Benzoic acid, 4-amino-2-ethoxy-
CAS No:59-07-4
MF:C9H11NO3
MW:181.188542604446
CID:339960
PubChem ID:10176385
Update Time:2025-04-19

Benzoic acid, 4-amino-2-ethoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-amino-2-ethoxy-
    • 59-07-4
    • CHEMBL3278348
    • 2-ethoxy-4-amino-benzoic acid
    • 4-Amino-2-ethoxybenzoicacid
    • FHMHTWLZOLQIFY-UHFFFAOYSA-N
    • AKOS013368569
    • 4-Amino-2-ethoxybenzoic acid
    • DTXSID30436414
    • SCHEMBL578910
    • 2-Ethoxy-4-aminobenzoic acid
    • Inchi: 1S/C9H11NO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
    • InChI Key: FHMHTWLZOLQIFY-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=C(C=CC=1C(=O)O)N

Computed Properties

  • Exact Mass: 181.07393
  • Monoisotopic Mass: 181.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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: 1
  • Topological Polar Surface Area: 72.6?2

Experimental Properties

  • PSA: 72.55
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