CCOC(=O)/C=C(\I)C(=O)OCC
Name: diethyl iodo-fumarate
SMILES: CCOC(=O)/C=C(\I)C(=O)OCC

Molecular Processing

Molecular formula
C8H11IO4
Molecular weight
298.08
Exact mass
297.9702
XLogP
1.43
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
55.37

Supplementary Information

Details werden geladen…

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