898751-75-2
ETHYL 6-(3,5-DIMETHYLPHENYL)-6-OXOHEXANOATE
NameETHYL 6-(3,5-DIMETHYLPHENYL)-6-OXOHEXANOATE
1Identification
【Name】
ETHYL 6-(3,5-DIMETHYLPHENYL)-6-OXOHEXANOATE
【CAS】
【MDL】
MFCD01320225
【English Synonyms】
【Formula】
C16 H22 O3
【MolWeight】
262.347
【Inchi】
InChI=1S/C16H22O3/c1-4-19-16(18)8-6-5-7-15(17)14-10-12(2)9-13(3)11-14/h9-11H,4-8H2,1-3H3
【InChIKey】
InChIKey=KIROJTJQCVUPEK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCCCC(=O)c1cc(cc(c1)C)C
【MOL File】
ETHYL 6-(3,5-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-(3,5-DIMETHYLPHENYL)-6-OXOHEXANOATE.cml