500890-03-9
2,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Name2,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD21336362
【English Synonyms】
【Formula】
C8 H12 N2 O2
【MolWeight】
168.195
【Inchi】
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-6(3)10-7/h4H2,1-3H3,(H,9,10)
【InChIKey】
InChIKey=YPOXNCMNUICELH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc([nH]1)C)C
【MOL File】
2,4-DIMETHYL-1H-IMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIMETHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER.cml