CCOC(=O)C1COc2cc(C(C)=O)ccc2O1
SMILES: CCOC(=O)C1COc2cc(C(C)=O)ccc2O1

Molecular Processing

Molecular formula
C13H14O5
Molecular weight
250.25
Exact mass
250.0841
XLogP
1.59
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
62.99

Supplementary Information

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