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Home > Boronic Acids > 1190875-39-8
1190875-39-8 | 1-Piperidinecarboxylic acid, 4-(4-borono-1H-pyrazol-1-yl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1190875-39-8 Catalog No: AG000P5J MDL No:MFCD12913942
Product Description
Catalog Number:
AG000P5J
Chemical Name:
1-Piperidinecarboxylic acid, 4-(4-borono-1H-pyrazol-1-yl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1190875-39-8
Molecular Formula:
C13H22BN3O4
Molecular Weight:
295.1425
MDL Number:
MFCD12913942
IUPAC Name:
[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C13H22BN3O4/c1-13(2,3)21-12(18)16-6-4-11(5-7-16)17-9-10(8-15-17)14(19)20/h8-9,11,19-20H,4-7H2,1-3H3
InChI Key:
BDHMWOQIBZOHFK-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)C1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.17g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.146g/mol
Monoisotopic Mass:
295.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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