이름: 4-hydroxy-5,6-dihydro-6-nonyl-2-pyrone
SMILES:
CCCCCCCCCC1CC(O)=CC(=O)O1Molecular Processing
Molecular formula
C14H24O3
Molecular weight
240.34
Exact mass
240.1725
XLogP
3.88
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
67.82
Supplementary Information
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