Nombre: 4,4-dimethyl-2-oxo-5-hexenoic acid
SMILES:
C=CC(C)(C)CC(=O)C(=O)OMolecular Processing
Molecular formula
C8H12O3
Molecular weight
156.18
Exact mass
156.0786
XLogP
1.24
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
41.24
Supplementary Information
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