1009303-78-9
2-HYDROXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
Name2-HYDROXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
1Identification
【Name】
2-HYDROXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD16994251
【English Synonyms】
【Formula】
C13 H17 B O5
【MolWeight】
264.083
【Inchi】
InChI=1S/C13H17BO5/c1-12(2)13(3,4)19-14(18-12)8-5-6-10(15)9(7-8)11(16)17/h5-7,15H,1-4H3,(H,16,17)
【InChIKey】
InChIKey=HFYLMDURJRSTHA-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)C(=O)O)O
【MOL File】
2-HYDROXY-5-(4,4,5,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID.cml