SMILES:
CCC(=O)OCC=C(C)C=OMolecular Processing
Molecular formula
C8H12O3
Molecular weight
156.18
Exact mass
156.0786
XLogP
1.08
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
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
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
41.07
Supplementary Information
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Involved in 1 reactions→