Name: 2,2,6-trimethyl-4H-1,3-dioxin-4-one
SMILES:
CC1=CC(=O)OC(C)(C)O1Molecular Processing
Molecular formula
C7H10O3
Molecular weight
142.15
Exact mass
142.063
XLogP
1.2
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
35.01
Supplementary Information
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