Name: 3-nitrobenzylideneacetoacetic acid methyl ester
SMILES:
COC(=O)CC(=O)C=Cc1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C12H11NO5
Molecular weight
249.22
Exact mass
249.0637
XLogP
1.74
TPSA
86.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
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
0.167
Molar refractivity
63.77
Supplementary Information
Details werden geladen…
An 13 Reaktionen beteiligt→