CC1(C)O[C@H]2[C@H](CBr)OC(=O)[C@H]2O1
Name: (3aS,6R,6aR)-6-(bromomethyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4-(3aH)-one
SMILES: CC1(C)O[C@H]2[C@H](CBr)OC(=O)[C@H]2O1

Molecular Processing

Molecular formula
C8H11BrO4
Molecular weight
251.08
Exact mass
249.9841
XLogP
0.83
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
47.5

Supplementary Information

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