Cas no 70591-87-6 (4-Hydroxybenzoylacetonitrile)

4-Hydroxybenzoylacetonitrile structure
4-Hydroxybenzoylacetonitrile structure
Product Name:4-Hydroxybenzoylacetonitrile
CAS No:70591-87-6
MF:C9H7NO2
MW:161.157382249832
CID:975377
PubChem ID:12512892
Update Time:2025-04-19

4-Hydroxybenzoylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(4-HYDROXY-PHENYL)-3-OXO-PROPIONITRILE
    • 3-(4-Hydroxyphenyl)-3-oxopropanenitrile
    • 4-HYDROXYBENZOYLACETONITRILE
    • 3-Oxo-3-(4-hydroxy-phenyl)-propionitril
    • 3-Oxo-3-< 4-hydroxy-phenyl> -propionitril
    • 4-(Cyanoacetyl)phenol
    • 4-Hydroxy-benzoylacetonitril
    • AG-A-75892
    • CTK2H5472
    • OR7015
    • SCHEMBL11770219
    • VCA59187
    • DTXSID00500934
    • MFCD07786224
    • 4-Hydroxy-b-oxo-benzenepropanenitrile
    • AKOS026675530
    • PS-5872
    • 70591-87-6
    • CS-0313434
    • 4-Hydroxybenzoylacetonitrile
    • MDL: MFCD07786224
    • Inchi: 1S/C9H7NO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5H2
    • InChI Key: ZGTRHIKPTOSLKT-UHFFFAOYSA-N
    • SMILES: OC1C=CC(C(CC#N)=O)=CC=1

Computed Properties

  • Exact Mass: 161.047678466g/mol
  • Monoisotopic Mass: 161.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 0.6
  • Topological Polar Surface Area: 61.1?2

4-Hydroxybenzoylacetonitrile Pricemore >>

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