SMILES:
COC(=O)C1=C(OC)CCC1C=OMolecular Processing
Molecular formula
C9H12O4
Molecular weight
184.19
Exact mass
184.0736
XLogP
0.67
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
44.84
Supplementary Information
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