882678-82-2
2-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
Name2-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
1Identification
【Name】
2-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD09037837
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H19 B O4
【pro_molWeight】
262.111
【Inchi】
InChI=1S/C14H19BO4/c1-9-10(12(16)17)7-6-8-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
【InChIKey】
InChIKey=NQQYCIXJSGDYFC-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2C)C(=O)O
【MOL File】
2-METHYL-3-(4,4,5,5-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID.cml