Cas no 644-17-7 (2,5-Cyclohexadiene-1,4-dione,2-(hydroxymethyl)-)

2,5-Cyclohexadiene-1,4-dione,2-(hydroxymethyl)- structure
644-17-7 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2-(hydroxymethyl)-
CAS No:644-17-7
MF:C7H6O3
MW:138.120742321014
CID:513411
PubChem ID:197730
Update Time:2025-04-19

2,5-Cyclohexadiene-1,4-dione,2-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione,2-(hydroxymethyl)-
    • 2-(Hydroxymethyl)-2,5-cyclohexadiene-1,4-dione
    • 2-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
    • 2-(Hydroxymethyl)-1,4-benzoquinone
    • Gentisinchinon
    • BRN 1934843
    • MFCD01663152
    • AKOS006372931
    • 644-17-7
    • 2-(Hydroxymethyl)-p-benzoquinone
    • MTRBCJLZPRDOGJ-UHFFFAOYSA-
    • DTXSID20214647
    • CHEMBL4127441
    • p-Benzoquinone, 2-(hydroxymethyl)-
    • SCHEMBL5145016
    • InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8H,4H2
    • Inchi: 1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8H,4H2
    • InChI Key: MTRBCJLZPRDOGJ-UHFFFAOYSA-N
    • SMILES: OCC1=CC(C=CC1=O)=O

Computed Properties

  • Exact Mass: 138.03168
  • Monoisotopic Mass: 138.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 235
  • 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: 0
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.346
  • Boiling Point: 281.8°C at 760 mmHg
  • Flash Point: 138.5°C
  • Refractive Index: 1.563
  • PSA: 54.37

2,5-Cyclohexadiene-1,4-dione,2-(hydroxymethyl)- Pricemore >>

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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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