738593-99-2
3-[3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID
Name3-[3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID
1Identification
【Name】
3-[3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID
【CAS】
【MDL】
MFCD05130953
【English Synonyms】
【Formula】
C13 H14 N2 O5
【MolWeight】
278.263
【Inchi】
InChI=1S/C13H14N2O5/c1-18-9-4-3-8(7-10(9)19-2)13-14-11(20-15-13)5-6-12(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=QYZVRXJSSXDRLV-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)c2nc(on2)CCC(=O)O
【MOL File】
3-[3-(3,4-DIMETHOXYP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID.cml