953752-64-2
5-(2,5-DIMETHOXYPHENYL)-1,2-OXAZOLE-3-CARBOXYLIC ACID
Name5-(2,5-DIMETHOXYPHENYL)-1,2-OXAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
5-(2,5-DIMETHOXYPHENYL)-1,2-OXAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD07377123
【English Synonyms】
【Formula】
C12 H11 N O5
【MolWeight】
249.221
【Inchi】
InChI=1S/C12H11NO5/c1-16-7-3-4-10(17-2)8(5-7)11-6-9(12(14)15)13-18-11/h3-6H,1-2H3,(H,14,15)
【InChIKey】
InChIKey=SHKJDWPURNWNTI-UHFFFAOYSA-N
【SMILES】
COc1ccc(c(c1)c2cc(no2)C(=O)O)OC
【MOL File】
5-(2,5-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2,5-DIMETHOXYPHENYL)-1,2-OXAZOLE-3-CARBOXYLIC ACID.cml