CAS 78814-96-7

Fórmula: C10H12O3

InChI: InChI=1S/C10H12O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)

Clave InChI: VOAUBXLCHZVCPI-UHFFFAOYSA-N

SMILES: COC(CC1=CC=CC=C1)C(=O)O

2-methoxy-3-phenylpropanoic acid

CAS: 78814-96-7

Fórmula: C₁₀H₁₂O₃

Peso molecular: 180.2005

Ref: IN-DA018XQ8

2-Methoxy-3-phenylpropanoic acid

CAS: 78814-96-7

2-Methoxy-3-phenylpropanoic acid is an ester with a carboxylic acid group at its end. It is a chiral molecule that has two enantiomers, which are mirror images of each other. The stereochemical conformations of these molecules can be determined by the weighting of their conformational energies. This compound is used in the synthesis of various pharmaceuticals and pesticides, such as carbamates and herbicides. The nmr spectroscopic data for this compound show that it has two conformers, A and B, which have different chemical shifts in their nmr spectra. The experimental data show that the equilibrium between these two conformers is weighted heavily to conformer A because it has a lower energy barrier than conformer B.

Fórmula: C₁₀H₁₂O₃

Pureza: Min. 95%

Peso molecular: 180.2 g/mol

Ref: 3D-DDA81496