Название: allyl 4-chloro-4-oxobutyrate
SMILES:
C=CCOC(=O)CCC(=O)ClMolecular Processing
Molecular formula
C7H9ClO3
Molecular weight
176.6
Exact mass
176.024
XLogP
1.26
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
41.25
Supplementary Information
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