Cas no 179388-73-9 (Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)

Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate structure
179388-73-9 structure
Product Name:Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CAS No:179388-73-9
MF:C12H16O4
MW:224.253044128418
CID:1369173
PubChem ID:11287527
Update Time:2025-04-20

Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
    • 2,2-BIS(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER
    • CTK4D7263
    • benzyl 2,2-bis(hydroxymethyl)propanoate
    • 2,2-bis(hydroxymethyl)propionic acid benzyl ester
    • AGN-PC-0061R5
    • Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethylester
    • AG-E-29714
    • SureCN846938
    • benzyl 2,2-bis(hydroxymethyl)propionate
    • 2,2-bis(hydroxy)methylpropionic acid benzyl ester
    • benzyl-2,2-bis(hydroxymethyl)propionate
    • 2,2-BIS(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER; CTK4D7263; benzyl 2,2-bis(hydroxymethyl)propanoate; 2,2-bis(hydroxymethyl)propionic acid benzyl ester; AGN-PC-0061R5; Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethylester; AG-E-29714; SureCN846938; benzyl 2,2-bis(hydroxymethyl)propionate; 2,2-bis(hydroxy)methylpropionic acid benzyl ester; benzyl-2,2-bis(hydroxymethyl)propionate;
    • 2,2-BIS-(HYDROXYMETHYL)-PROPANOIC ACID BENZYL ESTER
    • benzyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate(WS204500)
    • benzyl 2,2-bis(methylol)propionate
    • Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, phenylmethyl ester
    • SCHEMBL846938
    • VGFNGLUDOVQRNF-UHFFFAOYSA-N
    • W17824
    • DTXSID90461267
    • Phenylmethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
    • benzyl3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
    • 179388-73-9
    • Inchi: 1S/C12H16O4/c1-12(8-13,9-14)11(15)16-7-10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3
    • InChI Key: VGFNGLUDOVQRNF-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(C(C)(CO)CO)=O

Computed Properties

  • Exact Mass: 224.10500
  • Monoisotopic Mass: 224.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • 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: 0.6
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76000
  • LogP: 0.72070
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