Nombre: 4-(3,5-dimethyl-4-methoxyphenyl)-4-oxobutyric acid
SMILES:
COc1c(C)cc(C(=O)CCC(=O)O)cc1CMolecular Processing
Molecular formula
C13H16O4
Molecular weight
236.27
Exact mass
236.1049
XLogP
2.36
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
63.67
Supplementary Information
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