SMILES:
C=CC(O)C1CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C11H18O3
Molecular weight
198.26
Exact mass
198.1256
XLogP
1.47
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
52.8
Supplementary Information
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