4-Methyl-2-oxo-2H-chromen-7-yl chloroacetate

CAS: 105738-24-7

Ref. 3D-FM121797

Información del producto

• Nombre: 4-Methyl-2-oxo-2H-chromen-7-yl chloroacetate
• Sinónimos: acetic acid, chloro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, acetic acid, 2-chloro-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Descripción

4-Methyl-2-oxo-2H-chromen-7-yl chloroacetate is a diffraction experiment with a centrosymmetric structure. The molecule has two carbonyl groups, which are responsible for the shift in the frequency of the molecule. The theory behind this is that the electrons in these groups are more easily excited than those in other parts of the molecule. The functional theory also explains how vibrations of atoms and molecules can be calculated from their theoretical frequencies. This is done by using the principles of quantum mechanics to calculate the lowest energy state for any given molecular structure.

• Marca: Biosynth

Propiedades químicas

• Peso molecular: 252.65 g/mol
• Fórmula: C₁₂H₉ClO₄
• Pureza: Min. 95%
• InChI: InChI=1S/C12H9ClO4/c1-7-4-11(14)17-10-5-8(2-3-9(7)10)16-12(15)6-13/h2-5H,6H2,1H3
• Clave InChI: InChIKey=DNVAMQZOGHDQNS-UHFFFAOYSA-N
• SMILES: Cc1cc(=O)oc2cc(OC(=O)CCl)ccc12