1073353-77-1
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-NAPHTHOIC ACID
Name4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-NAPHTHOIC ACID
1Identification
【Name】
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-NAPHTHOIC ACID
【CAS】
【MDL】
MFCD09972180
【English Synonyms】
【Formula】
C17 H19 B O4
【MolWeight】
298.144
【Inchi】
InChI=1S/C17H19BO4/c1-16(2)17(3,4)22-18(21-16)14-10-9-13(15(19)20)11-7-5-6-8-12(11)14/h5-10H,1-4H3,(H,19,20)
【InChIKey】
InChIKey=NMXHQGWOOPQLBS-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c3c2cccc3)C(=O)O
【MOL File】
4-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-NAPHTHOIC ACID.cml