الاسم: hexane-2,4-dione
SMILES:
CCC(=O)CC(C)=OMolecular Processing
Molecular formula
C6H10O2
Molecular weight
114.14
Exact mass
114.0681
XLogP
0.94
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
30.6
Supplementary Information
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