Nombre: 5-(benzyloxy)-2-(chloromethyl)-4H-pyran-4-one
SMILES:
O=c1cc(CCl)occ1OCc1ccccc1Molecular Processing
Molecular formula
C13H11ClO3
Molecular weight
250.68
Exact mass
250.0397
XLogP
2.96
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
65.31
Supplementary Information
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