SMILES:
CCC(Cl)C(=O)OOC(C)=OMolecular Processing
Molecular formula
C6H9ClO4
Molecular weight
180.59
Exact mass
180.0189
XLogP
1.03
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
37.79
Supplementary Information
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