이름: 2-isobutyl-3-ketoketoglutarate diethyl ester
SMILES:
CCOC(=O)C(=O)C(=O)C(CC(C)C)C(=O)OCCMolecular Processing
Molecular formula
C13H20O6
Molecular weight
272.3
Exact mass
272.126
XLogP
0.91
TPSA
86.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
19
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
66.23
Supplementary Information
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