COC(=O)C12C(=O)OC(C(Cl)(Cl)Cl)C1C2(C)C
Name: methyl 4-trichloromethyl-6,6-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
SMILES: COC(=O)C12C(=O)OC(C(Cl)(Cl)Cl)C1C2(C)C

Molecular Processing

Molecular formula
C10H11Cl3O4
Molecular weight
301.55
Exact mass
299.9723
XLogP
2.1
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
61.89

Supplementary Information

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