이름: diisopropyl malate
SMILES:
CC(C)OC(=O)CC(O)C(=O)OC(C)CMolecular Processing
Molecular formula
C10H18O5
Molecular weight
218.25
Exact mass
218.1154
XLogP
0.64
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
53.08
Supplementary Information
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