C=C(C)C(=O)C1C2CC3C1OC(=O)C3C2C(=O)O
SMILES: C=C(C)C(=O)C1C2CC3C1OC(=O)C3C2C(=O)O

Molecular Processing

Molecular formula
C13H14O5
Molecular weight
250.25
Exact mass
250.0841
XLogP
0.64
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
59.4

Supplementary Information

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