名称: 1,6-hexanediol
SMILES:
CC(C)(C)c1cc(CCCCCCO)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C20H34O2
Molecular weight
306.49
Exact mass
306.2559
XLogP
5.08
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
94.76
Supplementary Information
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