Cas no 191998-04-6 (Acetic acid,hydroxy[(2-nitrobenzoyl)amino]- (9CI))

Acetic acid,hydroxy[(2-nitrobenzoyl)amino]- (9CI) structure
191998-04-6 structure
Product Name:Acetic acid,hydroxy[(2-nitrobenzoyl)amino]- (9CI)
CAS No:191998-04-6
MF:C9H8N2O6
MW:240.169622421265
CID:116118
PubChem ID:23257104
Update Time:2025-04-18

Acetic acid,hydroxy[(2-nitrobenzoyl)amino]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,hydroxy[(2-nitrobenzoyl)amino]- (9CI)
    • Acetic acid, hydroxy[(2-nitrobenzoyl)amino]- (9CI)
    • 191998-04-6
    • 2-hydroxy-2-[(2-nitrobenzoyl)amino]acetic acid
    • Inchi: 1S/C9H8N2O6/c12-7(10-8(13)9(14)15)5-3-1-2-4-6(5)11(16)17/h1-4,8,13H,(H,10,12)(H,14,15)
    • InChI Key: QXINSUCIMNJHGR-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)NC(C1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 240.03824
  • Monoisotopic Mass: 240.03823598g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 326
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.8
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • PSA: 129.77
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