Cas no 53711-21-0 (2,5-dihydroxy-3,4,6-trimethylbenzaldehyde)

2,5-dihydroxy-3,4,6-trimethylbenzaldehyde structure
53711-21-0 structure
Product Name:2,5-dihydroxy-3,4,6-trimethylbenzaldehyde
CAS No:53711-21-0
MF:C10H12O3
MW:180.200483322144
CID:356585
PubChem ID:15004922
Update Time:2025-09-20

2,5-dihydroxy-3,4,6-trimethylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2,5-dihydroxy-3,4,6-trimethyl-
    • 2,5-dihydroxy-3,4,6-trimethylbenzaldehyde
    • CHEMBL348145
    • SCHEMBL21929661
    • EN300-189280
    • Z1511748391
    • 53711-21-0
    • DTXSID40566832
    • Inchi: 1S/C10H12O3/c1-5-6(2)10(13)8(4-11)7(3)9(5)12/h4,12-13H,1-3H3
    • InChI Key: PAWLKOOZXUMOIB-UHFFFAOYSA-N
    • SMILES: OC1=C(C)C(C=O)=C(C(C)=C1C)O

Computed Properties

  • Exact Mass: 180.07866
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: 2.3
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

2,5-dihydroxy-3,4,6-trimethylbenzaldehyde Pricemore >>

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