이름: 2,6-Dimethyl-4H-pyran-4-one
SMILES:
Cc1cc(=O)cc(C)o1Molecular Processing
Molecular formula
C7H8O2
Molecular weight
124.14
Exact mass
124.0524
XLogP
1.26
TPSA
30.21
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
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
0.286
Molar refractivity
34.45
Supplementary Information
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