Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
CAS: 89193-16-8
Ref. 3D-FE23021
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Produktinformation
Name:
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
Synonyme:
- 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl esterEthyl 5-methyl-1-phenylpyrazole-4-carboxylateNSC 85879
Beschreibung:
Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate (EMPC) is an organic compound that belongs to the class of 1,2,3,4-tetrahydroquinolines. It crystallizes in the form of a dimorphous mixture with acetoacetate. EMPC has been shown to interact with molecular orbitals and cell parameters by means of functional theory. Crystals x-ray diffraction analysis revealed that EMPC is a molecule with a planar structure. Single crystal x-ray diffraction and elemental analysis data confirmed the presence of a methyl group on the nitrogen atom at position 3 in EMPC. The electronic structure was elucidated by theoretical calculations using density functional theory.
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Marke:
Biosynth
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Chemische Eigenschaften
Molekulargewicht:
230.26 g/mol
Formel:
C13H14N2O2
Reinheit:
Min. 95%
InChl:
InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI Key:
InChIKey=XYIOIOHRWLZCDM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(-c2ccccc2)c1C
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