SMILES:
CC(O)C(=O)O.CCCCC(O)C(=O)OMolecular Processing
Molecular formula
C9H18O6
Molecular weight
222.24
Exact mass
222.1103
XLogP
0.07
TPSA
115.06
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.778
Molar refractivity
52.48
Supplementary Information
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