220128-11-0
(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-PYRROL-1-YL)-ACETIC ACID
Name(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-PYRROL-1-YL)-ACETIC ACID
1Identification
【Name】
(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-PYRROL-1-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD01173688
【English Synonyms】
【Formula】
C14 H13 N O5
【MolWeight】
275.259
【Inchi】
InChI=1S/C14H13NO5/c1-8(16)11-12(9-5-3-2-4-6-9)15(7-10(17)18)14(20)13(11)19/h2-6,12,19H,7H2,1H3,(H,17,18)
【InChIKey】
InChIKey=MGJBYEARFYIWTC-UHFFFAOYSA-N
【SMILES】
CC(=O)C1=C(C(=O)N(C1c2ccccc2)CC(=O)O)O
【MOL File】
(3-ACETYL-4-HYDROXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-PYRROL-1-YL)-ACETIC ACID.cml