Name: (1-methoxyphenylethylidene)malononitrile
SMILES:
COC1(CC=C(C#N)C#N)C=CC=CC1Molecular Processing
Molecular formula
C12H12N2O
Molecular weight
200.24
Exact mass
200.095
XLogP
2.25
TPSA
56.81
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
56.56
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→