200725-09-3
4-OXO-4-(2-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID
Name4-OXO-4-(2-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID
1Identification
【Name】
4-OXO-4-(2-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID
【CAS】
【MDL】
MFCD00033285
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H9 F3 O3
【pro_molWeight】
246.183
【Inchi】
InChI=1S/C11H9F3O3/c12-11(13,14)8-4-2-1-3-7(8)9(15)5-6-10(16)17/h1-4H,5-6H2,(H,16,17)
【InChIKey】
InChIKey=XBHFJUYTHQXMEA-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)CCC(=O)O)C(F)(F)F
【MOL File】
4-OXO-4-(2-TRIFLUORO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-OXO-4-(2-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID.cml