SMILES:
CC1CC(C)(C)c2cc(O)ccc2C1=OMolecular Processing
Molecular formula
C13H16O2
Molecular weight
204.27
Exact mass
204.115
XLogP
2.89
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
59.24
Supplementary Information
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