الاسم: 1-methoxybicyclo[3.2.2]non-6-en-2,4-dione
SMILES:
COC12C=CC(CC1)C(=O)CC2=OMolecular Processing
Molecular formula
C10H12O3
Molecular weight
180.2
Exact mass
180.0786
XLogP
0.88
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
46.24
Supplementary Information
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