Name: methyl 3-(2-acetyl-4-benzyloxy-6-nitro-phenyl)-acrylate
SMILES:
COC(=O)C=Cc1c(C(C)=O)cc(OCc2ccccc2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C19H17NO6
Molecular weight
355.35
Exact mass
355.1056
XLogP
3.56
TPSA
95.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
94.92
Supplementary Information
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Involved in 11 reactions→