867130-04-9
2,2-DIMETHYL-4-OXO-4-(2,4,6-TRIMETHYLPHENYL)BUTYRIC ACID
Name2,2-DIMETHYL-4-OXO-4-(2,4,6-TRIMETHYLPHENYL)BUTYRIC ACID
1Identification
【Name】
2,2-DIMETHYL-4-OXO-4-(2,4,6-TRIMETHYLPHENYL)BUTYRIC ACID
【CAS】
【MDL】
MFCD09801845
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H20 O3
【pro_molWeight】
248.32
【Inchi】
InChI=1S/C15H20O3/c1-9-6-10(2)13(11(3)7-9)12(16)8-15(4,5)14(17)18/h6-7H,8H2,1-5H3,(H,17,18)
【InChIKey】
InChIKey=ZDJUUERWIZTWNC-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)C(=O)CC(C)(C)C(=O)O)C
【MOL File】
2,2-DIMETHYL-4-OXO-4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2,2-DIMETHYL-4-OXO-4-(2,4,6-TRIMETHYLPHENYL)BUTYRIC ACID.cml