Cas no 123226-30-2 (Acetonitrile, [3-(hydroxymethyl)phenoxy]-)

Acetonitrile, [3-(hydroxymethyl)phenoxy]- structure
123226-30-2 structure
Product Name:Acetonitrile, [3-(hydroxymethyl)phenoxy]-
CAS No:123226-30-2
MF:C9H9NO2
MW:163.173262357712
CID:1214598
PubChem ID:11321137
Update Time:2025-04-20

Acetonitrile, [3-(hydroxymethyl)phenoxy]- Chemical and Physical Properties

Names and Identifiers

    • Acetonitrile, [3-(hydroxymethyl)phenoxy]-
    • 2-[3-(hydroxymethyl)phenoxy]acetonitrile
    • FQYJUMVWCVSLPH-UHFFFAOYSA-N
    • AKOS000247976
    • 123226-30-2
    • DTXSID70462212
    • alpha-(3-Hydroxymethylphenoxy)acetonitrile
    • SCHEMBL4850094
    • Inchi: 1S/C9H9NO2/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6,11H,5,7H2
    • InChI Key: FQYJUMVWCVSLPH-UHFFFAOYSA-N
    • SMILES: O(CC#N)C1=CC=CC(CO)=C1

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: 3
  • Complexity: 173
  • 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: 0.9
  • Topological Polar Surface Area: 53.2?2
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