名称: allylacetoacetic acid ethyl ester
SMILES:
C=CCCC(=O)CC(=O)OCCMolecular Processing
Molecular formula
C9H14O3
Molecular weight
170.21
Exact mass
170.0943
XLogP
1.47
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
12
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
0.556
Molar refractivity
45.69
Supplementary Information
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