763109-72-4
5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,2-OXAZOLE-3-CARBOXYLIC ACID
Name5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,2-OXAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,2-OXAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06199332
【English Synonyms】
【Formula】
C12 H9 N O5
【MolWeight】
247.205
【Inchi】
InChI=1S/C12H9NO5/c14-12(15)8-6-10(18-13-8)7-1-2-9-11(5-7)17-4-3-16-9/h1-2,5-6H,3-4H2,(H,14,15)
【InChIKey】
InChIKey=IKVSBAJCNQWULH-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1c3cc(no3)C(=O)O)OCCO2
【MOL File】
5-(2,3-DIHYDRO-1,4-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,2-OXAZOLE-3-CARBOXYLIC ACID.cml