883062-56-4
Benzenebutanoic acid, 4-borono-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)- (9CI)
NameBenzenebutanoic acid, 4-borono-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)- (9CI)
1Identification
【Name】
Benzenebutanoic acid, 4-borono-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)- (9CI)
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H22BNO6
【MolWeight】
323.149
【Inchi】
InChI=1S/C15H22BNO6/c1-15(2,3)23-14(20)17-12(9-13(18)19)8-10-4-6-11(7-5-10)16(21)22/h4-7,12,21-22H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
【InChIKey】
InChIKey=PVAFXGLNVORIFE-LBPRGKRZSA-N
【SMILES】
B(O)(O)C1=CC=C(C=C1)C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
【MOL File】
Benzenebutanoic acid….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Benzenebutanoic acid, 4-borono-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)- (9CI).cml