Name: p-pivaloyl toluene
SMILES:
Cc1ccc(C(=O)C(C)(C)C)cc1Molecular Processing
Molecular formula
C12H16O
Molecular weight
176.26
Exact mass
176.1201
XLogP
3.22
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
54.96
Supplementary Information
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