57056-57-2
1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIHYDRO-4-HYDROXY-5-OXO-1-PHENYL-, ETHYL ESTER
Name1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIHYDRO-4-HYDROXY-5-OXO-1-PHENYL-, ETHYL ESTER
1Identification
【Name】
1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIHYDRO-4-HYDROXY-5-OXO-1-PHENYL-, ETHYL ESTER
【CAS】
【MDL】
MFCD02159409
【English Synonyms】
【Formula】
C13 H13 N O4
【MolWeight】
247.249
【Inchi】
InChI=1S/C13H13NO4/c1-2-18-13(17)10-8-14(12(16)11(10)15)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3
【InChIKey】
InChIKey=GQWLFHZHHVTAOT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)O
【MOL File】
1H-PYRROLE-3-CARBOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIHYDRO-4-HYDROXY-5-OXO-1-PHENYL-, ETHYL ESTER.cml