Name: methyl (4-methoxybenzoyl)pyruvate
SMILES:
COC(=O)C(=O)CC(=O)c1ccc(OC)cc1Molecular Processing
Molecular formula
C12H12O5
Molecular weight
236.22
Exact mass
236.0685
XLogP
1.01
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
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
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
58.96
Supplementary Information
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