Cas no 69451-09-8 (Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](4-nitrophenyl)-)

Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](4-nitrophenyl)- structure
69451-09-8 structure
Product Name:Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](4-nitrophenyl)-
CAS No:69451-09-8
MF:C21H25NO4
MW:355.42750620842
CID:1737625
Update Time:2024-11-27

Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](4-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Methanone, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](4-nitrophenyl)-
    • Inchi: 1S/C21H25NO4/c1-20(2,3)16-11-14(12-17(19(16)24)21(4,5)6)18(23)13-7-9-15(10-8-13)22(25)26/h7-12,24H,1-6H3
    • InChI Key: BWMPUNJVOVRAJM-UHFFFAOYSA-N
    • SMILES: C(C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)(C1=CC=C([N+]([O-])=O)C=C1)=O

Computed Properties

  • Exact Mass: 355.17845

Experimental Properties

  • Density: 1.142±0.06 g/cm3(Predicted)
  • Boiling Point: 483.9±45.0 °C(Predicted)
  • PSA: 80.44
  • pka: 7.25±0.40(Predicted)
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