Name: t-butyl 3-acetoxy-5-methyl-4-nitrophenylacetate
SMILES:
CC(=O)Oc1cc(CC(=O)OC(C)(C)C)cc(C)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C15H19NO6
Molecular weight
309.32
Exact mass
309.1212
XLogP
2.71
TPSA
95.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
78.69
Supplementary Information
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