SMILES:
CC1(C)C=CCC2(C)OC(=O)CC12Molecular Processing
Molecular formula
C11H16O2
Molecular weight
180.25
Exact mass
180.115
XLogP
2.29
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
50.14
Supplementary Information
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