Cas no 13463-71-3 (2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester)

2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester structure
13463-71-3 structure
Product Name:2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
CAS No:13463-71-3
MF:C9H16O3
MW:172.221543312073
CID:198493
PubChem ID:83492
Update Time:2025-04-19

2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
    • (3-hydroxy-2,2-dimethylpropyl) 2-methylprop-2-enoate
    • 3-hydroxy-2,2-dimethylpropyl methacrylate
    • 3-hydroxy-2,2-dimethylpropyl 2-methylprop-2-enoate
    • Methacrylic acid 3-hydroxy-2,2-dimethylpropyl ester
    • ONMLAAZEQUPQSE-UHFFFAOYSA-N
    • 13463-71-3
    • EINECS 236-676-0
    • NS00024349
    • DTXSID00158838
    • SCHEMBL27278
    • Inchi: 1S/C9H16O3/c1-7(2)8(11)12-6-9(3,4)5-10/h10H,1,5-6H2,2-4H3
    • InChI Key: ONMLAAZEQUPQSE-UHFFFAOYSA-N
    • SMILES: O(C(C(=C)C)=O)CC(C)(C)CO

Computed Properties

  • Exact Mass: 172.10998
  • Monoisotopic Mass: 172.109944
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 182
  • 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: 2.1
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Density: 0.995
  • Boiling Point: 261.1°Cat760mmHg
  • Flash Point: 104.1°C
  • Refractive Index: 1.45
  • PSA: 46.53
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