SMILES:
CC1(c2ccc(Cl)cc2)OC(=O)C(O)=C1OMolecular Processing
Molecular formula
C11H9ClO4
Molecular weight
240.64
Exact mass
240.0189
XLogP
2.44
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
57.18
Supplementary Information
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