Название: methyl 2-chloro-3-oxopentanoate
SMILES:
CCC(=O)C(Cl)C(=O)OCMolecular Processing
Molecular formula
C6H9ClO3
Molecular weight
164.59
Exact mass
164.024
XLogP
0.75
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
36.96
Supplementary Information
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