Home Carboxys tert-Butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate

tert-Butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate

CAS No.:
819800-93-6
Catalog Number:
AG0055ED
Molecular Formula:
C11H20N2O5
Molecular Weight:
260.2869
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Product Description
Catalog Number:
AG0055ED
Chemical Name:
tert-Butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
CAS Number:
819800-93-6
Molecular Formula:
C11H20N2O5
Molecular Weight:
260.2869
MDL Number:
MFCD12963548
IUPAC Name:
tert-butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H20N2O5/c1-10(2,3)18-9(14)12-6-4-11(15,5-7-12)8-13(16)17/h15H,4-8H2,1-3H3
InChI Key:
AJNCHUMJVPZDCG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(O)C[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.137g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.29g/mol
Monoisotopic Mass:
260.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties