SMILES:
O=C(OC1CC(CO)C1O)c1ccccc1Molecular Processing
Molecular formula
C12H14O4
Molecular weight
222.24
Exact mass
222.0892
XLogP
0.59
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
56.85
Supplementary Information
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