SMILES:
COC(=O)c1cc2c(OC(C)C)cccc2o1Molecular Processing
Molecular formula
C13H14O4
Molecular weight
234.25
Exact mass
234.0892
XLogP
3.01
TPSA
48.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.32
Supplementary Information
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