이름: ethyl 3,3-dimethyl-7-chloroheptanoate
SMILES:
CCOC(=O)CC(C)(C)CCCCClMolecular Processing
Molecular formula
C11H21ClO2
Molecular weight
220.74
Exact mass
220.123
XLogP
3.37
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
14
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
0.909
Molar refractivity
59.6
Supplementary Information
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