70442-57-8
4-(2,4-DIMETHYLPHENOXY)-BUTANOIC ACID, METHYL ESTER
Name4-(2,4-DIMETHYLPHENOXY)-BUTANOIC ACID, METHYL ESTER
1Identification
【Name】
4-(2,4-DIMETHYLPHENOXY)-BUTANOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD12168348
【English Synonyms】
【Formula】
C13 H18 O3
【MolWeight】
222.282
【Inchi】
InChI=1S/C13H18O3/c1-10-6-7-12(11(2)9-10)16-8-4-5-13(14)15-3/h6-7,9H,4-5,8H2,1-3H3
【InChIKey】
InChIKey=SZURHGJZOWUDBA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)OCCCC(=O)OC
【MOL File】
4-(2,4-DIMETHYLPHENO….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
4-(2,4-DIMETHYLPHENOXY)-BUTANOIC ACID, METHYL ESTER.cml