Nombre: (3S,6S)-3,6-octanediol
SMILES:
CC[C@H](O)CC[C@@H](O)CCMolecular Processing
Molecular formula
C8H18O2
Molecular weight
146.23
Exact mass
146.1307
XLogP
1.31
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
41.83
Supplementary Information
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