Cas no 358388-37-1 (Benzonitrile, 2-ethoxy-5-hydroxy- (9CI))

Benzonitrile, 2-ethoxy-5-hydroxy- (9CI) structure
358388-37-1 structure
Product Name:Benzonitrile, 2-ethoxy-5-hydroxy- (9CI)
CAS No:358388-37-1
MF:C9H9NO2
MW:163.173262357712
CID:1023189
PubChem ID:21973177
Update Time:2025-04-20

Benzonitrile, 2-ethoxy-5-hydroxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-ethoxy-5-hydroxy- (9CI)
    • DB-285695
    • 358388-37-1
    • OFBPPUWWTOVGCT-UHFFFAOYSA-N
    • SCHEMBL5901353
    • Ethoxy-5-hydroxybenzonitrile
    • BENZONITRILE, 2-ETHOXY-5-HYDROXY-
    • Inchi: 1S/C9H9NO2/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5,11H,2H2,1H3
    • InChI Key: OFBPPUWWTOVGCT-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC(=CC=1C#N)O

Computed Properties

  • Exact Mass: 163.063328530g/mol
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 184
  • 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: 1.6
  • Topological Polar Surface Area: 53.2?2
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