Name: (±)-3-(hydroxymethyl)pentane-1,4-diol
SMILES:
CC(O)C(CO)CCOMolecular Processing
Molecular formula
C6H14O3
Molecular weight
134.18
Exact mass
134.0943
XLogP
-0.64
TPSA
60.69
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
33.96
Supplementary Information
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