890839-22-2
2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
Name2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
1Identification
【Name】
2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD09037836
【English Synonyms】
【Formula】
C14 H19 B O4
【MolWeight】
262.111
【Inchi】
InChI=1S/C14H19BO4/c1-9-8-10(6-7-11(9)12(16)17)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
【InChIKey】
InChIKey=OOIMFYJDAOJRFA-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)C)C(=O)O
【MOL File】
2-METHYL-4-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID.cml