884982-97-2
1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-(1,3-BENZODIOXOL-5-YL)-, ETHYL ESTER
Name1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-(1,3-BENZODIOXOL-5-YL)-, ETHYL ESTER
1Identification
【Name】
1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-(1,3-BENZODIOXOL-5-YL)-, ETHYL ESTER
【CAS】
【MDL】
MFCD06618106
【English Synonyms】
【Formula】
C12 H10 N2 O5
【MolWeight】
262.22
【Inchi】
InChI=1S/C12H10N2O5/c1-2-16-12(15)11-13-10(14-19-11)7-3-4-8-9(5-7)18-6-17-8/h3-5H,2,6H2,1H3
【InChIKey】
InChIKey=JKWFXOBNHJWNDH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1nc(no1)c2ccc3c(c2)OCO3
【MOL File】
1,2,4-OXADIAZOLE-5-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-(1,3-BENZODIOXOL-5-YL)-, ETHYL ESTER.cml