Name: acetic acid 2-oxo-propyl ester
SMILES:
CC(=O)COC(C)=OMolecular Processing
Molecular formula
C5H8O3
Molecular weight
116.12
Exact mass
116.0473
XLogP
0.14
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
8
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
0.6
Molar refractivity
27.31
Supplementary Information
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