Cas no 103425-30-5 (2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)-)

2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)- structure
103425-30-5 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)-
CAS No:103425-30-5
MF:C11H12O4
MW:208.210583686829
CID:178669
PubChem ID:263533
Update Time:2025-04-19

2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-buten-1-yl)-
    • 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-(3-methyl-2-butenyl)-(9CI)
    • Boviquinone 1
    • NSC 98025
    • NCIOpen2_006118
    • 2,5-dihydroxy-3-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
    • NSC-98025
    • 103425-30-5
    • NSC98025
    • 2,5-dihydroxy-3-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
    • Inchi: 1S/C11H12O4/c1-6(2)3-4-7-10(14)8(12)5-9(13)11(7)15/h3,5,12,15H,4H2,1-2H3
    • InChI Key: LNPOBZXHXCFWNX-UHFFFAOYSA-N
    • SMILES: OC1C(C=C(C(C=1C/C=C(\C)/C)=O)O)=O

Computed Properties

  • Exact Mass: 208.07356
  • Monoisotopic Mass: 208.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 406
  • 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: 1.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
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