이름: 3-acetyl-5-butyl-dihydro-2 (3H)-furanone
SMILES:
CCCCC1CC(C(C)=O)C(=O)O1Molecular Processing
Molecular formula
C10H16O3
Molecular weight
184.23
Exact mass
184.1099
XLogP
1.7
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
48.19
Supplementary Information
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