SMILES:
C#CC(=O)OCCOCCOCMolecular Processing
Molecular formula
C8H12O4
Molecular weight
172.18
Exact mass
172.0736
XLogP
-0.17
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
42.49
Supplementary Information
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