Name: 3-nitrobenzylideneacetoacetic acid ethyl ester
SMILES:
CCOC(=O)CC(=O)C=Cc1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C13H13NO5
Molecular weight
263.25
Exact mass
263.0794
XLogP
2.13
TPSA
86.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.39
Supplementary Information
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