Name: 2-(6,6-dicarboxyoctyl)-2-cyclopentenone methoxime
SMILES:
CCC(CCCCCC1=CCCC1=O)(C(=O)O)C(=O)O.O/N=C/c1cc[n+](C[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]Molecular Processing
Molecular formula
C28H36Br2N4O7
Molecular weight
700.43
Exact mass
698.0951
XLogP
-2.82
TPSA
164.61
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
4
Fraction Csp3
0.393
Molar refractivity
140.84
Supplementary Information
Details werden geladen…
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