Cas no 215522-96-6 (Benzoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester)

Benzoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester structure
215522-96-6 structure
Product Name:Benzoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No:215522-96-6
MF:C12H16O3
MW:208.253643989563
MDL:MFCD02180886
CID:1401971
PubChem ID:53837553
Update Time:2025-04-20

Benzoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
    • 3-Hydroxymethyl-benzoic acid tert-butyl ester
    • SCHEMBL3499880
    • tert-butyl 3-(hydroxymethyl)benzoate
    • 215522-96-6
    • MDL： MFCD02180886
    • Inchi： 1S/C12H16O3/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7,13H,8H2,1-3H3
    • InChI Key： ZQSOBJZUBYGNAS-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=C(CO)C=1)=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: 4
  • Complexity: 217
  • 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: 1.9
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

Benzoic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y1125668-100mg
3-Hydroxymethyl-benzoic acid tert-butyl ester
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 215522-96-6 95%
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eNovation Chemicals LLC
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 215522-96-6 95%
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eNovation Chemicals LLC
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3-Hydroxymethyl-benzoic acid tert-butyl ester
 215522-96-6 95%
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eNovation Chemicals LLC
Y1125668-100mg
3-Hydroxymethyl-benzoic acid tert-butyl ester
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eNovation Chemicals LLC
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3-Hydroxymethyl-benzoic acid tert-butyl ester
 215522-96-6 95%
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eNovation Chemicals LLC
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3-Hydroxymethyl-benzoic acid tert-butyl ester
 215522-96-6 95%
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 $455 2025-02-19
eNovation Chemicals LLC
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 215522-96-6 95%
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