Cas no 2589-56-2 (1,4-Naphthalenedione,2-ethyl-3-methyl-)

1,4-Naphthalenedione,2-ethyl-3-methyl- structure
2589-56-2 structure
Product Name:1,4-Naphthalenedione,2-ethyl-3-methyl-
CAS No:2589-56-2
MF:C13H12O2
MW:200.233183860779
CID:268435
PubChem ID:3014112
Update Time:2025-04-19

1,4-Naphthalenedione,2-ethyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione,2-ethyl-3-methyl-
    • 2-Ethyl-3-methyl-1,4-naphthalenedione
    • 2-ethyl-3-methylnaphthalene-1,4-dione
    • FT-0703266
    • 2589-56-2
    • SCHEMBL571496
    • CHEMBL1223897
    • DTXSID90180542
    • 2-methyl-3-ethylnaphthoquinone
    • 1,4-Naphthalenedione, 2-ethyl-3-methyl-
    • Inchi： 1S/C13H12O2/c1-3-9-8(2)12(14)10-6-4-5-7-11(10)13(9)15/h4-7H,3H2,1-2H3
    • InChI Key： QWIBLPIAYFAQQQ-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C(C(C)=C1CC)=O

Computed Properties

  • Exact Mass: 200.08376
  • Monoisotopic Mass: 200.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 338
  • 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: 2.2
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

1,4-Naphthalenedione,2-ethyl-3-methyl- Related Literature

  • 1. Adducts from quinones and diazoalkanes. Part 9. The adduct from 2-methyl-1,4-napthoquinone and diazoethane and the derived secondary carbanion: regioisomerism in carbanion–quinone additions
    Francis M. Dean,Leonard E. Houghton,Rassoul Nayyir-Mashir,Chachanat Thebtaranonth J. Chem. Soc. Perkin Trans. 1 1980 1994
  • 2. Synthesis of 2,3-dialkyl-6,7-dichloro- and 2,3-dialkyl-6,7-dibromo-1,4-naphthoquinones
    Alamdar Ashnagar,J. Malcolm Bruce,Paul Lloyd-Williams J. Chem. Soc. Perkin Trans. 1 1988 559

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