COc1cc(I)c(C(C)=O)cc1O
SMILES: COc1cc(I)c(C(C)=O)cc1O

Molecular Processing

Molecular formula
C9H9IO3
Molecular weight
292.07
Exact mass
291.9596
XLogP
2.21
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
57.38

Supplementary Information

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