이름: (1S)-1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
SMILES:
CC1(C)C2CC[C@]1(C)C(=O)CC2=OMolecular Processing
Molecular formula
C11H16O2
Molecular weight
180.25
Exact mass
180.115
XLogP
1.97
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
49.24
Supplementary Information
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