名称: 1-methyl-10-oxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
SMILES:
CC12CCC(O1)C1C(=O)CC(=O)C12Molecular Processing
Molecular formula
C10H12O3
Molecular weight
180.2
Exact mass
180.0786
XLogP
0.71
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
44.12
Supplementary Information
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