4189-20-2
2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
Name2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD00219092
【English Synonyms】
【Formula】
C8 H11 N O3
【MolWeight】
169.179
【Inchi】
InChI=1S/C8H11NO3/c1-3-12-8(11)6-4-7(10)9-5(6)2/h3-4H2,1-2H3,(H,9,10)
【InChIKey】
InChIKey=NVNAIVPPUAEZEB-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(NC(=O)C1)C
【MOL File】
2-METHYL-5-OXO-4,5-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER.cml