58599-05-6
3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOL
Name3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOL
1Identification
【Name】
3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOL
【CAS】
【MDL】
MFCD10695140
【English Synonyms】
【Formula】
C9 H8 N2 O2
【MolWeight】
176.174
【Inchi】
InChI=1S/C9H8N2O2/c1-6-10-9(11-13-6)7-3-2-4-8(12)5-7/h2-5,12H,1H3
【InChIKey】
InChIKey=DDCBVFRRESFKMF-UHFFFAOYSA-N
【SMILES】
Cc1nc(no1)c2cccc(c2)O
【MOL File】
3-(5-METHYL-1,2,4-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENOL.cml