Cas no 28777-87-9 (Benzaldehyde, hydroxy-)

Benzaldehyde, hydroxy- structure
Benzaldehyde, hydroxy- structure
Product Name:Benzaldehyde, hydroxy-
CAS No:28777-87-9
MF:C7H6O2
MW:122.121342182159
CID:272828
Update Time:2026-05-14

Benzaldehyde, hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, hydroxy-
    • Hydroxybenzaldehyde
    • Inchi： InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
    • InChI Key： SMQUZDBALVYZAC-UHFFFAOYSA-N
    • SMILES： OC1C=CC=CC=1C=O

Computed Properties

  • Exact Mass: 122.03678
  • Monoisotopic Mass: 332.319149
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 14
  • Complexity: 243
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 24.1

Experimental Properties

  • Boiling Point: 190 deg C (40 Pa)
  • PSA: 37.3

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