Cas no 503591-23-9 (Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI))

Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI) structure
503591-23-9 structure
Product Name:Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI)
CAS No:503591-23-9
MF:C10H8O2
MW:160.169322967529
CID:1022409
PubChem ID:45083344
Update Time:2025-04-20

Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-[(1E)-3-oxo-1-propenyl]- (9CI)
    • 3-(3-oxoprop-1-enyl)benzaldehyde
    • 503591-23-9
    • 3-(3-Formylphenyl)propenal
    • Inchi: 1S/C10H8O2/c11-6-2-5-9-3-1-4-10(7-9)8-12/h1-8H/b5-2+
    • InChI Key: NWTPLVJOJDOSLA-GORDUTHDSA-N
    • SMILES: O=CC1=CC=CC(/C=C/C=O)=C1

Computed Properties

  • Exact Mass: 160.052429494g/mol
  • Monoisotopic Mass: 160.052429494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 184
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 34.1?2

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