이름: 1-chloro-4-acetoxy-8-methylnonane
SMILES:
CC(=O)OC(CCCCl)CCCC(C)CMolecular Processing
Molecular formula
C12H23ClO2
Molecular weight
234.77
Exact mass
234.1387
XLogP
3.76
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
15
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
0.917
Molar refractivity
64.2
Supplementary Information
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