941291-73-2
4-(1,1-DIMETHYLETHYL)-A,G-DIOXO-BENZENEBUTANOIC ACID METHYL ESTER
Name4-(1,1-DIMETHYLETHYL)-A,G-DIOXO-BENZENEBUTANOIC ACID METHYL ESTER
1Identification
【Name】
4-(1,1-DIMETHYLETHYL)-A,G-DIOXO-BENZENEBUTANOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD12468801
【English Synonyms】
【Formula】
C15 H18 O4
【MolWeight】
262.303
【Inchi】
InChI=1S/C15H18O4/c1-15(2,3)11-7-5-10(6-8-11)12(16)9-13(17)14(18)19-4/h5-8H,9H2,1-4H3
【InChIKey】
InChIKey=LBKGBIOQJMKSGR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)C(=O)CC(=O)C(=O)OC
【MOL File】
4-(1,1-DIMETHYLETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(1,1-DIMETHYLETHYL)-A,G-DIOXO-BENZENEBUTANOIC ACID METHYL ESTER.cml