Name: 2-methyl-4,4-bis(methyloxy)-3-[4-(methyloxy)phenyl]-2-cyclobuten-1-one
SMILES:
COc1ccc(C2=C(C)C(=O)C2(OC)OC)cc1Molecular Processing
Molecular formula
C14H16O4
Molecular weight
248.28
Exact mass
248.1049
XLogP
2.04
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
67.34
Supplementary Information
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