SMILES:
COC1=CC(OC)OC(C)C1=OMolecular Processing
Molecular formula
C8H12O4
Molecular weight
172.18
Exact mass
172.0736
XLogP
0.48
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
41.44
Supplementary Information
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