149490-72-2
ALPHA-ETHYL-3-METHOXY-BENZENEACETIC ACID, ETHYL ESTER
NameALPHA-ETHYL-3-METHOXY-BENZENEACETIC ACID, ETHYL ESTER
1Identification
【Name】
ALPHA-ETHYL-3-METHOXY-BENZENEACETIC ACID, ETHYL ESTER
【CAS】
【MDL】
MFCD16756827
【English Synonyms】
【Formula】
C13 H18 O3
【MolWeight】
222.282
【Inchi】
InChI=1S/C13H18O3/c1-4-12(13(14)16-5-2)10-7-6-8-11(9-10)15-3/h6-9,12H,4-5H2,1-3H3
【InChIKey】
InChIKey=FVSAVEXGQDHTRG-UHFFFAOYSA-N
【SMILES】
CCC(c1cccc(c1)OC)C(=O)OCC
【MOL File】
ALPHA-ETHYL-3-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-ETHYL-3-METHOXY-BENZENEACETIC ACID, ETHYL ESTER.cml