Cas no 57296-36-3 (2,2-Diethyl-6-hydroxy-4,5-dimethyl-1H-indene-1,3(2H)-dione)

2,2-Diethyl-6-hydroxy-4,5-dimethyl-1H-indene-1,3(2H)-dione structure
57296-36-3 structure
Product Name:2,2-Diethyl-6-hydroxy-4,5-dimethyl-1H-indene-1,3(2H)-dione
CAS No:57296-36-3
MF:C15H18O3
MW:246.301624774933
CID:2832814
PubChem ID:21516787
Update Time:2025-04-21

2,2-Diethyl-6-hydroxy-4,5-dimethyl-1H-indene-1,3(2H)-dione Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL11811291
    • DTXSID00615456
    • 2,2-Diethyl-4,5-dimethyl-6-hydroxy-indan-1,3-dione
    • 57296-36-3
    • 2,2-Diethyl-6-hydroxy-4,5-dimethyl-1H-indene-1,3(2H)-dione
    • WAVATIINWMDKFZ-UHFFFAOYSA-N
    • Inchi: 1S/C15H18O3/c1-5-15(6-2)13(17)10-7-11(16)8(3)9(4)12(10)14(15)18/h7,16H,5-6H2,1-4H3
    • InChI Key: WAVATIINWMDKFZ-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C)=C(C)C(=CC=2C(C1(CC)CC)=O)O

Computed Properties

  • Exact Mass: 246.125594432Da
  • Monoisotopic Mass: 246.125594432Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 370
  • 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: 3.4
  • Topological Polar Surface Area: 54.4?2
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