220128-08-5
6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID
Name6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID
1Identification
【Name】
6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID
【CAS】
【MDL】
MFCD02158020
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H21 N O5
【pro_molWeight】
331.366
【Inchi】
InChI=1S/C18H21NO5/c1-12(20)15-16(13-8-4-2-5-9-13)19(18(24)17(15)23)11-7-3-6-10-14(21)22/h2,4-5,8-9,16,23H,3,6-7,10-11H2,1H3,(H,21,22)
【InChIKey】
InChIKey=IINIQSYJRNTYTO-UHFFFAOYSA-N
【SMILES】
CC(=O)C1=C(C(=O)N(C1c2ccccc2)CCCCCC(=O)O)O
【MOL File】
6-(3-ACETYL-4-HYDROX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID.cml