Nombre: 5-methoxy-2-methyl-2-(3-oxo-butyl)-1-indanone
SMILES:
COc1ccc2c(c1)CC(C)(CCC(C)=O)C2=OMolecular Processing
Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
2.81
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
69.05
Supplementary Information
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