Name: 2,5-dimethyl-2-phenyl-3(2H)-furanone
SMILES:
CC1=CC(=O)C(C)(c2ccccc2)O1Molecular Processing
Molecular formula
C12H12O2
Molecular weight
188.23
Exact mass
188.0837
XLogP
2.4
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
53.64
Supplementary Information
Details werden geladen…
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