SMILES:
COC(=O)C1CC2C(=O)CC(=O)C1C=C2BrMolecular Processing
Molecular formula
C11H11BrO4
Molecular weight
287.11
Exact mass
285.9841
XLogP
1.23
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
58.74
Supplementary Information
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