SMILES:
CCOC(=O)c1ccc2c(c1)OC(C)(C)O2Molecular Processing
Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
2.37
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.73
Supplementary Information
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