CC1=CC(=O)C2=C(CC(C)=C(C)C2)C1=O
SMILES: CC1=CC(=O)C2=C(CC(C)=C(C)C2)C1=O

Molecular Processing

Molecular formula
C13H14O2
Molecular weight
202.25
Exact mass
202.0994
XLogP
2.51
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
58.41

Supplementary Information

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