C[C@@H]1OC(=O)C[C@H]2O[C@@H]12
Name: (1S, 2S, 6R)-2-methyl-3,7-dioxabicyclo[4.1.0]-heptan-4-one
SMILES: C[C@@H]1OC(=O)C[C@H]2O[C@@H]12

Molecular Processing

Molecular formula
C6H8O3
Molecular weight
128.13
Exact mass
128.0473
XLogP
0.09
TPSA
38.83
H-bond donors
0
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
0.833
Molar refractivity
28.83

Supplementary Information

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