74737-05-6
3-(2,4,6-TRIMETHOXYPHENYL)PROPANOIC ACID
Name3-(2,4,6-TRIMETHOXYPHENYL)PROPANOIC ACID
1Identification
【Name】
3-(2,4,6-TRIMETHOXYPHENYL)PROPANOIC ACID
【CAS】
【MDL】
MFCD00045944
【English Synonyms】
【Formula】
C12 H16 O5
【MolWeight】
240.253
【Inchi】
InChI=1S/C12H16O5/c1-15-8-6-10(16-2)9(4-5-12(13)14)11(7-8)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
【InChIKey】
InChIKey=LKDSCRCVTKEXRX-UHFFFAOYSA-N
【SMILES】
COc1cc(c(c(c1)OC)CCC(=O)O)OC
【MOL File】
3-(2,4,6-TRIMETHOXYP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(2,4,6-TRIMETHOXYPHENYL)PROPANOIC ACID.cml