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Home > Nitro Compounds > 1936247-49-2
1936247-49-2 | 6-tert-butyl-5-nitropiperidin-2-one
CAS No: 1936247-49-2 Catalog No: AG01BAD3 MDL No:MFCD28397601
Product Description
Catalog Number:
AG01BAD3
Chemical Name:
6-tert-butyl-5-nitropiperidin-2-one
CAS Number:
1936247-49-2
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
MDL Number:
MFCD28397601
IUPAC Name:
6-tert-butyl-5-nitropiperidin-2-one
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)8-6(11(13)14)4-5-7(12)10-8/h6,8H,4-5H2,1-3H3,(H,10,12)
InChI Key:
YLKHXXIHQSVQFK-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.238g/mol
Monoisotopic Mass:
200.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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