765269-95-2
4-(2,3,4,5,6-PENTAMETHYLPHENYL)-4-OXOBUTYRIC ACID
Name4-(2,3,4,5,6-PENTAMETHYLPHENYL)-4-OXOBUTYRIC ACID
1Identification
【Name】
4-(2,3,4,5,6-PENTAMETHYLPHENYL)-4-OXOBUTYRIC ACID
【CAS】
【MDL】
MFCD00278208
【English Synonyms】
【Formula】
C15 H20 O3
【MolWeight】
248.32
【Inchi】
InChI=1S/C15H20O3/c1-8-9(2)11(4)15(12(5)10(8)3)13(16)6-7-14(17)18/h6-7H2,1-5H3,(H,17,18)
【InChIKey】
InChIKey=YYAUMZUANJPNQI-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1C)C)C(=O)CCC(=O)O)C)C
【MOL File】
4-(2,3,4,5,6-PENTAME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,3,4,5,6-PENTAMETHYLPHENYL)-4-OXOBUTYRIC ACID.cml