SMILES:
O=C(O)C1(c2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C11H10O4
Molecular weight
206.2
Exact mass
206.0579
XLogP
1.53
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
51.11
Supplementary Information
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