이름: Intermediate 68
SMILES:
COCC(C)(C)C(=O)OMolecular Processing
Molecular formula
C6H12O3
Molecular weight
132.16
Exact mass
132.0786
XLogP
0.74
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
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
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
33.29
Supplementary Information
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