이름: alcohol
SMILES:
O[C@@H]1CO[C@H]2OCC[C@H]21Molecular Processing
Molecular formula
C6H10O3
Molecular weight
130.14
Exact mass
130.063
XLogP
-0.26
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
9
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
29.81
Supplementary Information
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