COC(=O)CC(=O)Cc1ccccc1
الاسم: Methyl 3-oxo-4-phenylbutyrate
SMILES: COC(=O)CC(=O)Cc1ccccc1

Molecular Processing

Molecular formula
C11H12O3
Molecular weight
192.21
Exact mass
192.0786
XLogP
1.36
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
51.79

Supplementary Information

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