29584-94-9
5-ISOPROPYL-4-METHYLOXAZOLE 1,2-ETHANEDISULFONATE HYDRATE
Name5-ISOPROPYL-4-METHYLOXAZOLE 1,2-ETHANEDISULFONATE HYDRATE
FormulaC7 H11 N O . C2 H6 O6 S2 . H2 O
1Identification
【Name】
5-ISOPROPYL-4-METHYLOXAZOLE 1,2-ETHANEDISULFONATE HYDRATE
【CAS】
【MDL】
MFCD01709950
【English Synonyms】
【Formula】
C7 H11 N O . C2 H6 O6 S2 . H2 O
【MolWeight】
333.38
【Inchi】
InChI=1S/C7H11NO.C2H6O6S2.H2O/c1-5(2)7-6(3)8-4-9-7;3-9(4,5)1-2-10(6,7)8;/h4-5H,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8);1H2
【InChIKey】
InChIKey=AQWVLMMVLDYGTF-UHFFFAOYSA-N
【SMILES】
Cc1c(ocn1)C(C)C.C(CS(=O)(=O)O)S(=O)(=O)O.O
【MOL File】
5-ISOPROPYL-4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-ISOPROPYL-4-METHYLOXAZOLE 1,2-ETHANEDISULFONATE HYDRATE.cml