이름: 2,6-dimethyltetrahydropyran-4-one
SMILES:
CC1CC(=O)CC(C)O1Molecular Processing
Molecular formula
C7H12O2
Molecular weight
128.17
Exact mass
128.0837
XLogP
1.14
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
34.25
Supplementary Information
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