Name: t-butyl 4-(acetoxymethyl)-3-nitrobenzoate
SMILES:
CC(=O)OCc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H17NO6
Molecular weight
295.29
Exact mass
295.1056
XLogP
2.61
TPSA
95.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
21
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
0.429
Molar refractivity
73.73
Supplementary Information
Details werden geladen…
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