902837-22-3
3-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)BENZOIC ACID
Name3-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)BENZOIC ACID
1Identification
【Name】
3-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD08274968
【English Synonyms】
【Formula】
C11 H10 N2 O3
【MolWeight】
218.211
【Inchi】
InChI=1S/C11H10N2O3/c1-2-9-12-10(16-13-9)7-4-3-5-8(6-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
【InChIKey】
InChIKey=UDGPERFBSLKMSD-UHFFFAOYSA-N
【SMILES】
CCc1nc(on1)c2cccc(c2)C(=O)O
【MOL File】
3-(3-ETHYL-1,2,4-OXA….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-(3-ETHYL-1,2,4-OXADIAZOL-5-YL)BENZOIC ACID.cml