Nom: 4-(4-chloro-1-oxobutyl)-2,2-dimethylphenethyl acetate
SMILES:
CC(=O)OCCC1C=CC(C(=O)CCCCl)=CC1(C)CMolecular Processing
Molecular formula
C16H23ClO3
Molecular weight
298.81
Exact mass
298.1336
XLogP
3.67
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
80.71
Supplementary Information
Récupération des détails…
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