이름: 2-(5-acetoxypentyl)- cyclopent-2-ene-1-one
SMILES:
CC(=O)OCCCCCC1=CCCC1=OMolecular Processing
Molecular formula
C12H18O3
Molecular weight
210.27
Exact mass
210.1256
XLogP
2.4
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
57.43
Supplementary Information
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