1147351-76-5
BENZOIC ACID, 4-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
NameBENZOIC ACID, 4-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
1Identification
【Name】
BENZOIC ACID, 4-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
【CAS】
【MDL】
MFCD16996353
【English Synonyms】
【Formula】
C15 H21 B O4
【MolWeight】
276.138
【Inchi】
InChI=1S/C15H21BO4/c1-10-7-8-11(13(17)18-6)12(9-10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
【InChIKey】
InChIKey=ZMCQKGITUXUKOL-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(ccc2C(=O)OC)C
【MOL File】
BENZOIC ACID, 4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 4-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER.cml