Cas no 72651-98-0 (1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl-)

1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl- structure
72651-98-0 structure
Product Name:1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl-
CAS No:72651-98-0
MF:C15H15NO4
MW:273.283904314041
CID:573365
PubChem ID:329857
Update Time:2025-04-19

1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl-
    • 2,2-DIMETHYL-5-(3-INDOLYLMETHYL)-1,3-DIOXANE-4,6-DIONE
    • 5-(1H-indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
    • 5-((1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
    • 5-(indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
    • 5-indol-3-ylmethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione
    • AC1Q2CTS
    • AG-G-86228
    • BDAVXCPEOTZZLK-UHFFFAOYSA-
    • CTK5D6617
    • NSC314867
    • Oprea1_854095
    • 5-[(1H-Indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
    • 5-(1H-INDOL-3-YLMETHYL)-2,2-DIMETHYL-(1,3)DIOXANE-4,6-DIONE
    • BDAVXCPEOTZZLK-UHFFFAOYSA-N
    • InChI=1/C15H15NO4/c1-15(2)19-13(17)11(14(18)20-15)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,7H2,1-2H3
    • 2,2-DIMETHYL-5-(3-INDOLYL-METHYL)-1,3-DIOXANE-4,6-DIONE
    • 72651-98-0
    • 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione #
    • MFCD00012078
    • 4P-907
    • 1,3-Dioxane-4,6-dione, 5-(3(1H)-indolylmethyl)-2,2-dimethyl-
    • DTXSID00317347
    • NSC-314867
    • AKOS005092752
    • Inchi: 1S/C15H15NO4/c1-15(2)19-13(17)11(14(18)20-15)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,7H2,1-2H3
    • InChI Key: BDAVXCPEOTZZLK-UHFFFAOYSA-N
    • SMILES: O1C(C(C(=O)OC1(C)C)CC1=CNC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 273.10015
  • Monoisotopic Mass: 273.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 400
  • 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: 2.9
  • Topological Polar Surface Area: 68.4A^2

Experimental Properties

  • Density: 1.297
  • Boiling Point: 569.8°C at 760 mmHg
  • Flash Point: 298.4°C
  • Refractive Index: 1.606
  • PSA: 68.39

1,3-Dioxane-4,6-dione,5-(1H-indol-3-ylmethyl)-2,2-dimethyl- Pricemore >>

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