Cas no 162213-79-8 (Benzoic acid, 5-hydroxy-2-methyl-, 1,1-dimethylethyl ester)

Benzoic acid, 5-hydroxy-2-methyl-, 1,1-dimethylethyl ester structure
162213-79-8 structure
Product Name:Benzoic acid, 5-hydroxy-2-methyl-, 1,1-dimethylethyl ester
CAS No:162213-79-8
MF:C12H16O3
MW:208.253643989563
CID:1342271
PubChem ID:71353859
Update Time:2025-04-20

Benzoic acid, 5-hydroxy-2-methyl-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-hydroxy-2-methyl-, 1,1-dimethylethyl ester
    • tert-butyl 5-hydroxy-2-methylbenzoate
    • 5-hydroxyl-2-methylbenzoic acid t-butyl ester
    • EN300-5380868
    • Z1862002860
    • DTXSID20778572
    • F97858
    • SCHEMBL15105925
    • 162213-79-8
    • Inchi: 1S/C12H16O3/c1-8-5-6-9(13)7-10(8)11(14)15-12(2,3)4/h5-7,13H,1-4H3
    • InChI Key: BMEFRZLIWFNTMN-UHFFFAOYSA-N
    • SMILES: O(C(C1C=C(C=CC=1C)O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 208.10998
  • Monoisotopic Mass: 208.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 230
  • 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: 2.8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Benzoic acid, 5-hydroxy-2-methyl-, 1,1-dimethylethyl ester Pricemore >>

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Benzoic acid, 5-hydroxy-2-methyl-, 1,1-dimethylethyl ester
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