Cas no 648448-98-0 (3-methyl-1,2-benzoxazole-5-carbaldehyde)

3-methyl-1,2-benzoxazole-5-carbaldehyde structure
648448-98-0 structure
Product Name:3-methyl-1,2-benzoxazole-5-carbaldehyde
CAS No:648448-98-0
MF:C9H7NO2
MW:161.157382249832
MDL:MFCD18804969
CID:414187
PubChem ID:57358415
Update Time:2025-04-19

3-methyl-1,2-benzoxazole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazole-5-carboxaldehyde, 3-methyl-
    • 3-methyl-1,2-benzoxazole-5-carbaldehyde
    • 3-methylbenzo[d]isoxazole-5-carbaldehyde
    • 3-Methyl-benzo[d]isoxazole-5-carbaldehyde
    • SCHEMBL2877358
    • FT-0768038
    • A923733
    • 648448-98-0
    • DTXSID20724110
    • MFCD18804969
    • SB38121
    • YAB44898
    • CS-0317420
    • P20554
    • RVYHKGGVVXARJG-UHFFFAOYSA-N
    • 1,2-Benzisoxazole-5-carboxaldehyde,3-methyl-(9CI)
    • DA-04016
    • MDL: MFCD18804969
    • Inchi: 1S/C9H7NO2/c1-6-8-4-7(5-11)2-3-9(8)12-10-6/h2-5H,1H3
    • InChI Key: RVYHKGGVVXARJG-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(C=O)=CC=2C(C)=N1

Computed Properties

  • Exact Mass: 161.047678466g/mol
  • Monoisotopic Mass: 161.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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: 1.6
  • Topological Polar Surface Area: 43.1?2

3-methyl-1,2-benzoxazole-5-carbaldehyde Pricemore >>

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