SMILES:
COC(=O)C1CC2C(=O)C(=O)C1C=C2BrMolecular Processing
Molecular formula
C10H9BrO4
Molecular weight
273.08
Exact mass
271.9684
XLogP
0.84
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
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
0.5
Molar refractivity
54.13
Supplementary Information
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