65171-90-6
3-HYDROXY-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
Name3-HYDROXY-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3-HYDROXY-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD13178519
【English Synonyms】
【Formula】
C8 H11 N O3
【MolWeight】
169.179
【Inchi】
InChI=1S/C8H11NO3/c1-3-12-8(11)7-6(10)4-5-9(7)2/h4-5,10H,3H2,1-2H3
【InChIKey】
InChIKey=CTDNNGUXOZYWKS-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(ccn1C)O
【MOL File】
3-HYDROXY-1-METHYL-1….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
3-HYDROXY-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER.cml