Name: 2-butanone ethanol
SMILES:
CCC(C)=O.CCOMolecular Processing
Molecular formula
C6H14O2
Molecular weight
118.18
Exact mass
118.0994
XLogP
0.98
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
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
2
Fraction Csp3
0.833
Molar refractivity
33.73
Supplementary Information
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