SMILES:
COC(=O)COc1c(C(C)(C)C)cc(C(C)=O)cc1C(C)(C)CMolecular Processing
Molecular formula
C19H28O4
Molecular weight
320.43
Exact mass
320.1988
XLogP
4.04
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
91.36
Supplementary Information
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