Название: methyl 2-acetyloctanoate
SMILES:
CCCCCCC(C(C)=O)C(=O)OCMolecular Processing
Molecular formula
C11H20O3
Molecular weight
200.28
Exact mass
200.1412
XLogP
2.33
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
54.95
Supplementary Information
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