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Home > Nitro Compounds > 1803601-04-8
1803601-04-8 | 6,6-dimethyl-5-nitropiperidin-2-one
CAS No: 1803601-04-8 Catalog No: AG01B7SE MDL No:MFCD28968124
Product Description
Catalog Number:
AG01B7SE
Chemical Name:
6,6-dimethyl-5-nitropiperidin-2-one
CAS Number:
1803601-04-8
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
MDL Number:
MFCD28968124
IUPAC Name:
6,6-dimethyl-5-nitropiperidin-2-one
InChI:
InChI=1S/C7H12N2O3/c1-7(2)5(9(11)12)3-4-6(10)8-7/h5H,3-4H2,1-2H3,(H,8,10)
InChI Key:
AZLHHLQGTTXWKD-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)(C)C)[N+](=O)[O-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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