Cas no 838-03-9 (1-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)ethanone)

1-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)ethanone structure
838-03-9 structure
Product Name:1-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)ethanone
CAS No:838-03-9
MF:C14H14O3
MW:230.259164333344
CID:989054
PubChem ID:283942
Update Time:2025-04-20

1-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)ethanone
    • 838-03-9
    • CCG-44866
    • 2-acetyl-1,8-dihydroxy-3,6-dimethylnaphthalene
    • SR-01000634674-1
    • DTXSID70300842
    • 2-acetyl-1,8-dihydroxy-3,6-dimethylnaphtalene
    • NSC139211
    • BRD-K74877368-001-01-1
    • NSC-139211
    • HMS547M08
    • TZAKEZMPPUTARG-UHFFFAOYSA-N
    • Maybridge1_002208
    • 1-(1,8-Dihydroxy-3,6-dimethyl-2-naphthyl)ethanone #
    • 2'-Acetonaphthone, 1',8'-dihydroxy-3',6'-dimethyl-
    • SCHEMBL1672199
    • Naphthalene-1,8-diol, 2-acetyl-3,6-dimethyl-
    • 1-(1,8-dihydroxy-3,6-dimethyl-2-naphthyl)ethan-1-one
    • CHEBI:228709
    • Inchi： 1S/C14H14O3/c1-7-4-10-6-8(2)12(9(3)15)14(17)13(10)11(16)5-7/h4-6,16-17H,1-3H3
    • InChI Key： TZAKEZMPPUTARG-UHFFFAOYSA-N
    • SMILES： OC1C(C(C)=O)=C(C)C=C2C=C(C)C=C(C2=1)O

Computed Properties

  • Exact Mass: 230.094294304g/mol
  • Monoisotopic Mass: 230.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 302
  • 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: 57.5?2

1-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)ethanone Related Literature

838-03-9 (1-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)ethanone) Related Products

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