193095-52-2
ALPHA-ETHYL-3,5-DIMETHYL-BENZENEACETIC ACID, ETHYL ESTER
NameALPHA-ETHYL-3,5-DIMETHYL-BENZENEACETIC ACID, ETHYL ESTER
1Identification
【Name】
ALPHA-ETHYL-3,5-DIMETHYL-BENZENEACETIC ACID, ETHYL ESTER
【CAS】
【MDL】
MFCD16756781
【English Synonyms】
【Formula】
C14 H20 O2
【MolWeight】
220.31
【Inchi】
InChI=1S/C14H20O2/c1-5-13(14(15)16-6-2)12-8-10(3)7-11(4)9-12/h7-9,13H,5-6H2,1-4H3
【InChIKey】
InChIKey=SNANHVBSNOEKTJ-UHFFFAOYSA-N
【SMILES】
CCC(c1cc(cc(c1)C)C)C(=O)OCC
【MOL File】
ALPHA-ETHYL-3,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-ETHYL-3,5-DIMETHYL-BENZENEACETIC ACID, ETHYL ESTER.cml