SMILES:
CC(O)CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C12H15NO5
Molecular weight
253.25
Exact mass
253.095
XLogP
1.91
TPSA
89.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.27
Supplementary Information
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