Name: 2-(6-carboxyoctyl)-2-cyclopentenone methoxime
SMILES:
CCC(CCCCCC1=CCCC1=O)C(=O)O.O/N=C/c1cc[n+](C[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]Molecular Processing
Molecular formula
C27H36Br2N4O5
Molecular weight
656.42
Exact mass
654.1052
XLogP
-2.27
TPSA
127.31
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
4
Fraction Csp3
0.407
Molar refractivity
134.26
Supplementary Information
Details werden geladen…
An 28 Reaktionen beteiligt→