Cas no 175448-32-5 (Benzamide,2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-)

Benzamide,2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]- structure
175448-32-5 structure
Product Name:Benzamide,2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-
CAS No:175448-32-5
MF:C14H11NO6
MW:289.240244150162
CID:143229
PubChem ID:3075331
Update Time:2025-04-19

Benzamide,2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]- Chemical and Physical Properties

Names and Identifiers

    • Benzamide,2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-
    • 2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
    • (1S)-2-Hydroxy-N-(6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)benzamide
    • Benzamide, 2-hydroxy-N-(6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-, (1S)-
    • Epoxyquinomicin B
    • Benzamide, 2-hydroxy-N-(6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo(4.1.0 )hept-3-en-3-yl)-, (1S)-
    • 2-Hydroxy-N-[6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzene-1-carboximidic acid
    • CHEBI:200485
    • 175448-32-5
    • CHEMBL317846
    • DTXSID10938668
    • Inchi： 1S/C14H11NO6/c16-6-14-10(18)5-8(11(19)12(14)21-14)15-13(20)7-3-1-2-4-9(7)17/h1-5,12,16-17H,6H2,(H,15,20)/t12-,14+/m1/s1
    • InChI Key： VIGCRVLJRHAWJR-OCCSQVGLSA-N
    • SMILES： O1[C@@H]2C(C(=CC([C@]12CO)=O)NC(C1C=CC=CC=1O)=O)=O

Computed Properties

  • Exact Mass: 289.059
  • Monoisotopic Mass: 289.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 542
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 30
  • XLogP3: 0.5
  • Topological Polar Surface Area: 116?2

Experimental Properties

  • Density: 1.63
  • Boiling Point: 625.7°Cat760mmHg
  • Flash Point: 332.2°C
  • Refractive Index: 1.694
  • PSA: 119.72000
  • LogP: -0.13760

Benzamide,2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]- Related Literature

Related Categories

175448-32-5 (Benzamide,2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-) Related Products

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