이름: ε-caprolactone
SMILES:
O=C1CCCCCO1Molecular Processing
Molecular formula
C6H10O2
Molecular weight
114.14
Exact mass
114.0681
XLogP
1.1
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
29.43
Supplementary Information
No supplementary data available
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