Nombre: 1-cyclopropyl-4-methoxy-1,3-butanedione
SMILES:
COCC(=O)CC(=O)C1CC1Molecular Processing
Molecular formula
C8H12O3
Molecular weight
156.18
Exact mass
156.0786
XLogP
0.57
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
39.23
Supplementary Information
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