887234-98-2
BENZOIC ACID, 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
NameBENZOIC ACID, 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
1Identification
【Name】
BENZOIC ACID, 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
【CAS】
【MDL】
MFCD16996352
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H21 B O4
【pro_molWeight】
276.138
【Inchi】
InChI=1S/C15H21BO4/c1-10-8-7-9-11(13(17)18-6)12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
【InChIKey】
InChIKey=ZXMYLQQEDRRWOU-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2c(cccc2C(=O)OC)C
【MOL File】
BENZOIC ACID, 3-METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
BENZOIC ACID, 3-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER.cml