CC(C)(C)OC(=O)C1C(C#CC(=O)O)C1(C)C
SMILES: CC(C)(C)OC(=O)C1C(C#CC(=O)O)C1(C)C

Molecular Processing

Molecular formula
C13H18O4
Molecular weight
238.28
Exact mass
238.1205
XLogP
1.69
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
62.02

Supplementary Information

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