Cas no 835653-05-9 (Benzaldehyde, compd. with pyrimidine (1:1))

Benzaldehyde, compd. with pyrimidine (1:1) structure
835653-05-9 structure
Product Name:Benzaldehyde, compd. with pyrimidine (1:1)
CAS No:835653-05-9
MF:C11H10N2O
MW:186.20990228653
CID:668930
PubChem ID:71415002
Update Time:2025-04-19

Benzaldehyde, compd. with pyrimidine (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, compd. with pyrimidine (1:1)
    • benzaldehyde,pyrimidine
    • DTXSID90834432
    • Benzaldehyde--pyrimidine (1/1)
    • SCHEMBL4016308
    • 835653-05-9
    • Inchi: 1S/C7H6O.C4H4N2/c8-6-7-4-2-1-3-5-7;1-2-5-4-6-3-1/h1-6H;1-4H
    • InChI Key: LWGWZOZRIXRECK-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC=CC=1.N1C=NC=CC=1

Computed Properties

  • Exact Mass: 186.079312947g/mol
  • Monoisotopic Mass: 186.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 105
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.8?2
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