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Home > Nitro Compounds > 1934399-17-3
1934399-17-3 | 5-nitro-6-(propan-2-yl)piperidin-2-one
CAS No: 1934399-17-3 Catalog No: AG01B9Z1 MDL No:MFCD30079942
Product Description
Catalog Number:
AG01B9Z1
Chemical Name:
5-nitro-6-(propan-2-yl)piperidin-2-one
CAS Number:
1934399-17-3
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
MDL Number:
MFCD30079942
IUPAC Name:
5-nitro-6-propan-2-ylpiperidin-2-one
InChI:
InChI=1S/C8H14N2O3/c1-5(2)8-6(10(12)13)3-4-7(11)9-8/h5-6,8H,3-4H2,1-2H3,(H,9,11)
InChI Key:
ZOLKRALPGCLQMS-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)C(C)C)[N+](=O)[O-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.211g/mol
Monoisotopic Mass:
186.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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