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1030269-28-3 | 4-Oxo-4-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)butanoic acid
CAS No: 1030269-28-3 Catalog No: AG003LY2 MDL No:MFCD06795662
Product Description
Catalog Number:
AG003LY2
Chemical Name:
4-Oxo-4-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)butanoic acid
CAS Number:
1030269-28-3
Molecular Formula:
C16H22BNO5
Molecular Weight:
319.1606
MDL Number:
MFCD06795662
IUPAC Name:
4-oxo-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid
InChI:
InChI=1S/C16H22BNO5/c1-15(2)16(3,4)23-17(22-15)11-6-5-7-12(10-11)18-13(19)8-9-14(20)21/h5-7,10H,8-9H2,1-4H3,(H,18,19)(H,20,21)
InChI Key:
IOFRLFIFTQTDDV-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)CCC(=O)O
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.164g/mol
Monoisotopic Mass:
319.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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