Cas no 708-31-6 (Methyl 4-hydroxy-2,6-dimethylbenzoate)

Methyl 4-hydroxy-2,6-dimethylbenzoate structure
708-31-6 structure
Product Name:Methyl 4-hydroxy-2,6-dimethylbenzoate
CAS No:708-31-6
MF:C10H12O3
MW:180.200483322144
CID:1023634
PubChem ID:13814116
Update Time:2025-04-20

Methyl 4-hydroxy-2,6-dimethylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-hydroxy-2,6-dimethylbenzoate
    • (4-Hydroxy-2.6-dimethyl-phenyl)-acetat
    • 3,5-dimethyl-4-acetoxyphenol
    • 4-Acetoxy-3,5-dimethyl-phenol
    • 4-hydroxy-2,6-dimethylphenyl acetate
    • 5-Hydroxy-2-acetoxy-m-xylol
    • AG-L-24164
    • AGN-PC-00O3KI
    • AK102815
    • ANW-65373
    • CTK5D3052
    • Essigsaeure-(4-hydroxy-2.6-dimethyl-phenylester)
    • KB-257143
    • SureCN197898
    • 83194-70-1
    • CS-0187507
    • 708-31-6
    • MFCD13191754
    • FT-0758511
    • SCHEMBL197898
    • DS-3952
    • s10376
    • DTXSID50550343
    • QCXIFBNFVHBKCI-UHFFFAOYSA-N
    • Methyl4-hydroxy-2,6-dimethylbenzoate
    • AKOS015852021
    • 4-hydroxy-2,6-dimethyl-benzoic acid methyl ester
    • A850163
    • Benzoic acid, 4-hydroxy-2,6-dimethyl-, methyl ester
    • DB-022741
    • methyl 2,6-dimethyl-4-hydroxybenzoate
    • Inchi: 1S/C10H12O3/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5,11H,1-3H3
    • InChI Key: QCXIFBNFVHBKCI-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C(C)=CC(=CC=1C)O)=O

Computed Properties

  • Exact Mass: 180.078644241g/mol
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 2.2
  • Topological Polar Surface Area: 46.5?2
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