55590-80-2
2-BUTYL-5-(4-HYDROXY-3-METHOXYPHENYL)-1,3,2-DIOXABOROLAN-4-ONE
Name2-BUTYL-5-(4-HYDROXY-3-METHOXYPHENYL)-1,3,2-DIOXABOROLAN-4-ONE
1Identification
【Name】
2-BUTYL-5-(4-HYDROXY-3-METHOXYPHENYL)-1,3,2-DIOXABOROLAN-4-ONE
【CAS】
【MDL】
MFCD18972586
【English Synonyms】
【Formula】
C13 H17 B O5
【MolWeight】
264.083
【Inchi】
InChI=1S/C13H17BO5/c1-3-4-7-14-18-12(13(16)19-14)9-5-6-10(15)11(8-9)17-2/h5-6,8,12,15H,3-4,7H2,1-2H3
【InChIKey】
InChIKey=MITUJKGTDJLOFG-UHFFFAOYSA-N
【SMILES】
B1(OC(C(=O)O1)c2ccc(c(c2)OC)O)CCCC
【MOL File】
2-BUTYL-5-(4-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BUTYL-5-(4-HYDROXY-3-METHOXYPHENYL)-1,3,2-DIOXABOROLAN-4-ONE.cml