Name: 6-nitro-hexanoic acid ethyl ester
SMILES:
CCOC(=O)CCCCC[N+](=O)[O-]Molecular Processing
Molecular formula
C8H15NO4
Molecular weight
189.21
Exact mass
189.1001
XLogP
1.39
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
46.96
Supplementary Information
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Involved in 9 reactions→