Nombre: iso-butyl 2-oxopentanoate
SMILES:
CCCC(=O)C(=O)OCC(C)CMolecular Processing
Molecular formula
C9H16O3
Molecular weight
172.22
Exact mass
172.1099
XLogP
1.55
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
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
0.778
Molar refractivity
45.71
Supplementary Information
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