Name: ethyl 3-hydroxy-4-oxo-2,3,5,6,7,8-hexahydro-4H-cyclohepta[b]furan-3-carboxylate
SMILES:
CCOC(=O)C1(O)COC2=C1C(=O)CCCC2Molecular Processing
Molecular formula
C12H16O5
Molecular weight
240.25
Exact mass
240.0998
XLogP
0.71
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
58.04
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→