SMILES:
COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2Molecular Processing
Molecular formula
C10H12O4
Molecular weight
196.2
Exact mass
196.0736
XLogP
0.68
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
47.37
Supplementary Information
Details werden geladen…
An 7 Reaktionen beteiligt→