COc1cc(C=O)cc2c1OCC2
SMILES: COc1cc(C=O)cc2c1OCC2

Molecular Processing

Molecular formula
C10H10O3
Molecular weight
178.19
Exact mass
178.063
XLogP
1.44
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
47.58

Supplementary Information

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