Name: 2-nitro-4-acetyloxyanisole
SMILES:
COc1ccc(OC(C)=O)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C9H9NO5
Molecular weight
211.17
Exact mass
211.0481
XLogP
1.53
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.96
Supplementary Information
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