31648-18-7
4-METHOXY-ALPHA,ALPHA-DIMETHYL-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER
Name4-METHOXY-ALPHA,ALPHA-DIMETHYL-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER
1Identification
【Name】
4-METHOXY-ALPHA,ALPHA-DIMETHYL-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD17015473
【English Synonyms】
【Formula】
C14 H18 O4
【MolWeight】
250.292
【Inchi】
InChI=1S/C14H18O4/c1-14(2,13(16)18-4)12(15)11(17-3)10-8-6-5-7-9-10/h5-9,11H,1-4H3
【InChIKey】
InChIKey=GNZZCARMSSRSET-UHFFFAOYSA-N
【SMILES】
CC(C)(C(=O)C(c1ccccc1)OC)C(=O)OC
【MOL File】
4-METHOXY-ALPHA,ALPH….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-METHOXY-ALPHA,ALPHA-DIMETHYL-BETA-OXO-BENZENEBUTANOIC ACID METHYL ESTER.cml