SMILES:
C=CCc1cc(C=O)cc(C)c1OMolecular Processing
Molecular formula
C11H12O2
Molecular weight
176.21
Exact mass
176.0837
XLogP
2.24
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
52.13
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→