Name: 2,2-dimethylpentanoic acid
SMILES:
CCCC(C)(C)C(=O)OMolecular Processing
Molecular formula
C7H14O2
Molecular weight
130.19
Exact mass
130.0994
XLogP
1.9
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
36.32
Supplementary Information
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