490035-82-0
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZENEPROPANOIC ACID, METHYL ESTER
Name4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZENEPROPANOIC ACID, METHYL ESTER
1Identification
【Name】
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZENEPROPANOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD16996366
【English Synonyms】
【Formula】
C16 H23 B O4
【MolWeight】
290.165
【Inchi】
InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)13-9-6-12(7-10-13)8-11-14(18)19-5/h6-7,9-10H,8,11H2,1-5H3
【InChIKey】
InChIKey=VAWYJERIKSKEPK-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)CCC(=O)OC
【MOL File】
4-(4,4,5,5-TETRAMETH….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
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZENEPROPANOIC ACID, METHYL ESTER.cml