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Home > Boronic Acids > 1251537-39-9
1251537-39-9 | 1-Piperidinecarboxylic acid, 4-borono-, 1-(1,1-dimethylethyl) ester
CAS No: 1251537-39-9 Catalog No: AG000N91 MDL No:MFCD07371557
Product Description
Catalog Number:
AG000N91
Chemical Name:
1-Piperidinecarboxylic acid, 4-borono-, 1-(1,1-dimethylethyl) ester
CAS Number:
1251537-39-9
Molecular Formula:
C10H20BNO4
Molecular Weight:
229.0811
MDL Number:
MFCD07371557
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]boronic acid
InChI:
InChI=1S/C10H20BNO4/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)11(14)15/h8,14-15H,4-7H2,1-3H3
InChI Key:
KMECCEOFWNIQFT-UHFFFAOYSA-N
SMILES:
OB(C1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.149g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.083g/mol
Monoisotopic Mass:
229.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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