Cas no 116140-69-3 (Propanedioic acid, methylphenyl-, monomethyl ester, (R)-)

Propanedioic acid, methylphenyl-, monomethyl ester, (R)- structure
116140-69-3 structure
Product Name:Propanedioic acid, methylphenyl-, monomethyl ester, (R)-
CAS No:116140-69-3
MF:C11H12O4
MW:208.210583686829
CID:1205584
Update Time:2024-08-02

Propanedioic acid, methylphenyl-, monomethyl ester, (R)- Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, methylphenyl-, monomethyl ester, (R)-
    • Propanedioic acid, 2-methyl-2-phenyl-, 1-methyl ester, (2R)-
    • Inchi: 1S/C11H12O4/c1-11(9(12)13,10(14)15-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13)/t11-/m1/s1
    • InChI Key: FRXAPCDFYITNNA-LLVKDONJSA-N
    • SMILES: C(OC)(=O)[C@](C)(C1=CC=CC=C1)C(O)=O

Computed Properties

  • Exact Mass: 207.06573

Experimental Properties

  • Density: 1.219±0.06 g/cm3(Predicted)
  • Boiling Point: 332.6±30.0 °C(Predicted)
  • PSA: 66.43
  • pka: 3.04±0.10(Predicted)
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