Name: isocrotonic acid p-nitrobenzyl ester
SMILES:
C/C=C\C(=O)OCc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C11H11NO4
Molecular weight
221.21
Exact mass
221.0688
XLogP
2.21
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
57.71
Supplementary Information
Details werden geladen…
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