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Home > Boronic Acids > 1310404-86-4
1310404-86-4 | 1-Piperidinecarboxylic acid, 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1310404-86-4 Catalog No: AG000VG3 MDL No:MFCD12827858
Product Description
Catalog Number:
AG000VG3
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1310404-86-4
Molecular Formula:
C23H36BNO5
Molecular Weight:
417.3466
MDL Number:
MFCD12827858
IUPAC Name:
[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phenyl]boronic acid
InChI:
InChI=1S/C17H26BNO5/c1-17(2,3)24-16(20)19-9-7-13(8-10-19)12-23-15-6-4-5-14(11-15)18(21)22/h4-6,11,13,21-22H,7-10,12H2,1-3H3
InChI Key:
GGYHINILIVWLOA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)COc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.207g/mol
Monoisotopic Mass:
335.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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