Cas no 4389-44-0 (3-methylbenzene-1,2,4-triol)

3-methylbenzene-1,2,4-triol structure
3-methylbenzene-1,2,4-triol structure
Product Name:3-methylbenzene-1,2,4-triol
CAS No:4389-44-0
MF:C7H8O3
MW:140.136622428894
CID:329204
PubChem ID:197042
Update Time:2025-04-19

3-methylbenzene-1,2,4-triol Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-Benzenetriol,3-methyl-
    • 3-methylbenzene-1,2,4-triol
    • Versicolin
    • 1,2,4-Trihydroxy-3-methyl-benzol
    • 1-methyl-2,3,6-trihydroxybenzene
    • 2,3,6-Trihydroxytoluene
    • 2-Hydroxy-3-methyl-hydrochinon
    • 3-methyl-1,2,4-benzenetriol
    • 3-Methyl-benzen-1,2,4-triol
    • 3-methyl-benzene-1,2,4-triol
    • AC1L52S2
    • Benzol-3-methyl-1,2,4-triol
    • BRN 2249549
    • LS-154214
    • Toluene-2,3,6-triol
    • 4-06-00-07374 (Beilstein Handbook Reference)
    • AKOS006279568
    • CHEBI:204745
    • DTXSID70195977
    • 4389-44-0
    • UNII-021BGU73ZX
    • VERSICOLIN (ASPERGILLUS)
    • EN300-1599505
    • 021BGU73ZX
    • 1,2,4-Benzenetriol, 3-methyl-
    • Q27231474
    • o-Kresoldialkohol
    • SCHEMBL3708636
    • Inchi: 1S/C7H8O3/c1-4-5(8)2-3-6(9)7(4)10/h2-3,8-10H,1H3
    • InChI Key: WPFZLGOGWVNEID-UHFFFAOYSA-N
    • SMILES: OC1C(=CC=C(C=1C)O)O

Computed Properties

  • Exact Mass: 140.04734
  • Monoisotopic Mass: 140.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 115
  • 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
  • Surface Charge: 0
  • Tautomer Count: 24
  • XLogP3: 1.2
  • Topological Polar Surface Area: 60.7?2

Experimental Properties

  • Density: 1.387
  • Boiling Point: 349.7°Cat760mmHg
  • Flash Point: 182.6°C
  • Refractive Index: 1.647
  • PSA: 60.69

3-methylbenzene-1,2,4-triol Pricemore >>

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Enamine
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$3622.0 2023-06-04
Enamine
EN300-1599505-50mg
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$707.0 2023-09-23
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