Nom: dimethyl-2-oxo-4-phenylbutylphosphonate
SMILES:
CC(C)(CC(=O)CP(=O)([O-])[O-])c1ccccc1Molecular Processing
Molecular formula
C12H15O4P-2
Molecular weight
254.22
Exact mass
254.0719
XLogP
0.84
TPSA
80.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-2
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
61.57
Supplementary Information
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