이름: ethyl 3-(4-chlorophenyl)-3-oxopropanoate
SMILES:
CCOC(=O)CC(=O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C11H11ClO3
Molecular weight
226.66
Exact mass
226.0397
XLogP
2.48
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
57.03
Supplementary Information
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