SMILES:
CC(C)C(=O)O.CCOc1cc(C=O)ccc1OMolecular Processing
Molecular formula
C13H18O5
Molecular weight
254.28
Exact mass
254.1154
XLogP
2.33
TPSA
83.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.385
Molar refractivity
67.14
Supplementary Information
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