SMILES:
C=C1CCC(C(=O)OCC)CC1Molecular Processing
Molecular formula
C10H16O2
Molecular weight
168.24
Exact mass
168.115
XLogP
2.3
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
47.73
Supplementary Information
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