Name: isobutyl malonic acid
SMILES:
CC(C)CC(C(=O)O)C(=O)OMolecular Processing
Molecular formula
C7H12O4
Molecular weight
160.17
Exact mass
160.0736
XLogP
0.82
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
38.22
Supplementary Information
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