الاسم: 2-(2',4'-dimethylphenyl)-5,5-dimethyl-1,3-cyclohexanedione
SMILES:
Cc1ccc(C2C(=O)CC(C)(C)CC2=O)c(C)c1Molecular Processing
Molecular formula
C16H20O2
Molecular weight
244.33
Exact mass
244.1463
XLogP
3.35
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
71.69
Supplementary Information
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