Nombre: 1-(3,4-dimethoxyphenyl)-3-oxo-1-octene
SMILES:
CCCCCC(=O)C=Cc1ccc(OC)c(OC)c1Molecular Processing
Molecular formula
C16H22O3
Molecular weight
262.35
Exact mass
262.1569
XLogP
3.87
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
19
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
0.438
Molar refractivity
77.73
Supplementary Information
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