الاسم: ethyl [2-(2-isobutoxy-5-methoxyphenyl)-2-oxoethyl]-phosphonate
SMILES:
CCOP(=O)([O-])CC(=O)c1cc(OC)ccc1OCC(C)CMolecular Processing
Molecular formula
C15H22O6P-
Molecular weight
329.31
Exact mass
329.1159
XLogP
2.5
TPSA
84.89
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
81.76
Supplementary Information
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