Name: 6-(4-Hydroxyphenyl)hexane-2,4-dione
SMILES:
CC(=O)CC(=O)CCc1ccc(O)cc1Molecular Processing
Molecular formula
C12H14O3
Molecular weight
206.24
Exact mass
206.0943
XLogP
1.87
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
56.73
Supplementary Information
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