898765-45-2
2,2-DIMETHYL-4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID
Name2,2-DIMETHYL-4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID
1Identification
【Name】
2,2-DIMETHYL-4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID
【CAS】
【MDL】
MFCD01320051
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H18 O3
【pro_molWeight】
234.293
【Inchi】
InChI=1S/C14H18O3/c1-9-5-10(2)7-11(6-9)12(15)8-14(3,4)13(16)17/h5-7H,8H2,1-4H3,(H,16,17)
【InChIKey】
InChIKey=JOJHIRMHBUHMEQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)C(=O)CC(C)(C)C(=O)O)C
【MOL File】
2,2-DIMETHYL-4-(3,5-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2,2-DIMETHYL-4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID.cml