Cas no 304481-60-5 (KM91104)

KM91104 structure
KM91104 structure
Product Name:KM91104
CAS No:304481-60-5
MF:C14H12N2O4
MW:272.26
CID:1062386
PubChem ID:329825383
Update Time:2024-10-30

KM91104 Chemical and Physical Properties

Names and Identifiers

    • KM 91104
    • 3,4-dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
    • 3,4-Dihydroxy-N’-(2-hydroxybenzylidene)benzohydrazide
    • 3,4-Dihydroxy-benzoic acid [(2-hydroxyphenyl)methylene]hydrazide
    • ARONIS018042
    • STK047197
    • 3,4-Dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide Hemimethanolate Sesquihydrate
    • 3,4-dihydroxy-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide
    • BB0273622
    • KM91104, >=98% (HPLC)
    • 3,4-dihydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]benzohydrazide
    • CID 135403138
    • KM91104
    • Benzoic acid, 3,4-dihydroxy-, 2-[(2-hydroxyphenyl)methylene]hydrazide
    • V-ATPase human HSC,a3-b2 subunits,KM-91104,KM 91104,Inhibitor,KM91104,Proton Pump,cell-permeable,inhibit
    • 3,4-dihydroxy-N'-[(2-hydroxyphenyl)methylidene]benzohydrazide
    • DTXSID20419933
    • AC1NTSX9
    • SCHEMBL2318635
    • 3,4-dihydroxy-N-[(2-hydroxyphenyl)methylideneamino]benzamide
    • 304481-60-5
    • MDL: MFCD00587366
    • Inchi: 1S/C14H12N2O4/c17-11-4-2-1-3-10(11)8-15-16-14(20)9-5-6-12(18)13(19)7-9/h1-8,17-19H,(H,16,20)/b15-8+
    • InChI Key: GWVYHPUGEQGQSF-OVCLIPMQSA-N
    • SMILES: OC1=C(C=CC(C(N/N=C/C2C=CC=CC=2O)=O)=C1)O

Computed Properties

  • Exact Mass: 272.07970687g/mol
  • Monoisotopic Mass: 272.07970687g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 361
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 102
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.36±0.1 g/cm3(Predicted)
  • Solubility: DMSO: >15mg/mL
  • pka: 8.24±0.35(Predicted)

KM91104 Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 43-50
  • Safety Instruction: 36/37-61
  • Hazardous Material Identification: Xi N
  • Storage Condition:2-8°C

KM91104 Pricemore >>

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