SMILES:
OCC1CC2C=CC=C3OCOC321Molecular Processing
Molecular formula
C10H12O3
Molecular weight
180.2
Exact mass
180.0786
XLogP
0.81
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
45.67
Supplementary Information
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