Nombre: 2,4-hexadiyn-1,6-diol
SMILES:
OCC#CC#CCOMolecular Processing
Molecular formula
C6H6O2
Molecular weight
110.11
Exact mass
110.0368
XLogP
-1.02
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
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
0.333
Molar refractivity
29.72
Supplementary Information
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