Cas no 71888-24-9 (4-(Diethylcarbamoyl)benzoic acid)

4-(Diethylcarbamoyl)benzoic acid structure
71888-24-9 structure
Product Name:4-(Diethylcarbamoyl)benzoic acid
CAS No:71888-24-9
MF:C12H15NO3
MW:221.252403497696
CID:1755649
PubChem ID:12553499
Update Time:2025-04-21

4-(Diethylcarbamoyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[(diethylamino)carbonyl]-
    • DGZGEKOOJZWDQO-UHFFFAOYSA-N
    • SCHEMBL6802252
    • 4-[(diethylamino)carbonyl]-benzoic acid
    • 4-(diethylcarbamoyl)benzoicacid
    • BS-29406
    • AKOS008131939
    • EN300-69510
    • SB77329
    • 4-(diethylcarbamoyl)benzoic acid
    • Z425331670
    • 71888-24-9
    • WCA88824
    • 2-diethyl-carbamoyl benzoic acid
    • 4-(Diethylcarbamoyl)benzoic acid
    • Inchi: 1S/C12H15NO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
    • InChI Key: DGZGEKOOJZWDQO-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(C(=O)O)=CC=1)N(CC)CC

Computed Properties

  • Exact Mass: 221.10525
  • Monoisotopic Mass: 221.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 253
  • 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: 0.8
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • PSA: 57.61

4-(Diethylcarbamoyl)benzoic acid Pricemore >>

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