SMILES:
O=C(O)C=CC1CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C11H16O4
Molecular weight
212.24
Exact mass
212.1049
XLogP
1.56
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
53.37
Supplementary Information
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