名称: 4-bromo-6-hydroxy-2-methyl-2H-pyran-3(6H)-one
SMILES:
CC1OC(O)C=C(Br)C1=OMolecular Processing
Molecular formula
C6H7BrO3
Molecular weight
207.02
Exact mass
205.9579
XLogP
0.57
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
38.57
Supplementary Information
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