SMILES:
C#CCOCCC12OCC(CCC)(CO1)CO2Molecular Processing
Molecular formula
C13H20O4
Molecular weight
240.3
Exact mass
240.1362
XLogP
1.54
TPSA
36.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
62.2
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→