Cas no 15918-52-2 (Benzaldehyde,2,3,6-trihydroxy-4-methyl-)

Benzaldehyde,2,3,6-trihydroxy-4-methyl- structure
15918-52-2 structure
Product Name:Benzaldehyde,2,3,6-trihydroxy-4-methyl-
CAS No:15918-52-2
MF:C8H8O4
MW:168.146722793579
CID:174866
PubChem ID:12443391
Update Time:2025-04-19

Benzaldehyde,2,3,6-trihydroxy-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,2,3,6-trihydroxy-4-methyl-
    • p-Tolualdehyde,2,3,6-trihydroxy- (8CI)
    • Thamnol
    • 2,3,6-trihydroxy-4-methylbenzaldehyde
    • 15918-52-2
    • Inchi： 1S/C8H8O4/c1-4-2-6(10)5(3-9)8(12)7(4)11/h2-3,10-12H,1H3
    • InChI Key： BATFCETZIPDVPP-UHFFFAOYSA-N
    • SMILES： OC1C(=C(C=O)C(=CC=1C)O)O

Computed Properties

  • Exact Mass: 168.04224
  • Monoisotopic Mass: 168.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 170
  • 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: 1.2
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.76

Benzaldehyde,2,3,6-trihydroxy-4-methyl- Related Literature

15918-52-2 (Benzaldehyde,2,3,6-trihydroxy-4-methyl-) Related Products

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