1204333-25-4
7-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE
Name7-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE
1Identification
【Name】
7-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE
【CAS】
【MDL】
MFCD17012850
【English Synonyms】
【Formula】
C16 H21 B O4
【MolWeight】
288.149
【Inchi】
InChI=1S/C16H21BO4/c1-15(2)16(3,4)21-17(20-15)11-7-8-14-12(10-11)13(18)6-5-9-19-14/h7-8,10H,5-6,9H2,1-4H3
【InChIKey】
InChIKey=OVRWFZJHRDJEAW-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)C(=O)CCCO3
【MOL File】
7-(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:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE.cml