SMILES:
COC1=CC(OC)OC1(OC)C(C)=OMolecular Processing
Molecular formula
C9H14O5
Molecular weight
202.21
Exact mass
202.0841
XLogP
0.45
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
47.4
Supplementary Information
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