CC(=O)C(=O)OCC(C)C
名称: iso-butyl pyruvate
SMILES: CC(=O)C(=O)OCC(C)C

Molecular Processing

Molecular formula
C7H12O3
Molecular weight
144.17
Exact mass
144.0786
XLogP
0.77
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
36.48

Supplementary Information

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