Cas no 865449-97-4 (1,3-benzoxazole-6-carbaldehyde)

1,3-benzoxazole-6-carbaldehyde structure
865449-97-4 structure
Product Name:1,3-benzoxazole-6-carbaldehyde
CAS No:865449-97-4
MF:C8H5NO2
MW:147.130801916122
MDL:MFCD11040758
CID:1025632
PubChem ID:20393272
Update Time:2024-10-26

1,3-benzoxazole-6-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzo[d]oxazole-6-carbaldehyde
    • 1,3-Benzoxazole-6-carbaldehyde
    • 6-Benzoxazolecarboxaldehyde
    • 3572AC
    • FCH834709
    • AX8224753
    • ST24024621
    • F10050
    • 1,3-Benzoxazole-6-carboxaldehyde
    • CS-W006738
    • 865449-97-4
    • SCHEMBL3582670
    • MFCD11040758
    • DTXSID30606615
    • SY114792
    • AS-47012
    • DB-095451
    • F11397
    • AKOS006239799
    • 1,3-benzoxazole-6-carbaldehyde
    • MDL: MFCD11040758
    • Inchi: 1S/C8H5NO2/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H
    • InChI Key: AAXBJXNWZVAVDH-UHFFFAOYSA-N
    • SMILES: O=CC1C=C2C(N=CO2)=CC=1

Computed Properties

  • Exact Mass: 147.032028402g/mol
  • Monoisotopic Mass: 147.032028402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 160
  • 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: 1.1
  • Topological Polar Surface Area: 43.1

Experimental Properties

  • Density: 1.322
  • Boiling Point: 271.1°C at 760 mmHg
  • Flash Point: 117.8°C
  • Refractive Index: 1.663

1,3-benzoxazole-6-carbaldehyde Security Information

1,3-benzoxazole-6-carbaldehyde Pricemore >>

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