5430-82-0
ETHYL 5-(HYDROXYMETHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
NameETHYL 5-(HYDROXYMETHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 5-(HYDROXYMETHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD19302009
【English Synonyms】
【Formula】
C10 H15 N O3
【MolWeight】
197.232
【Inchi】
InChI=1S/C10H15NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h11-12H,4-5H2,1-3H3
【InChIKey】
InChIKey=PTSDHVPETXCHSV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c([nH]c1C)CO)C
【MOL File】
ETHYL 5-(HYDROXYMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-(HYDROXYMETHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE.cml