CC1CCC(C(C)C)C(OCC(=O)O)C1
SMILES: CC1CCC(C(C)C)C(OCC(=O)O)C1

Molecular Processing

Molecular formula
C12H22O3
Molecular weight
214.3
Exact mass
214.1569
XLogP
2.55
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
58.72

Supplementary Information

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