Name: ethyl 3-(5-chloro-2-methoxyphenyl)-3-oxopropanoate
SMILES:
CCOC(=O)CC(=O)c1cc(Cl)ccc1OCMolecular Processing
Molecular formula
C12H13ClO4
Molecular weight
256.69
Exact mass
256.0502
XLogP
2.48
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
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
0.333
Molar refractivity
63.58
Supplementary Information
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