C=CC1=CC=C(C=C1)C(C#N)C#N
Name: 2-(4-ethenylphenyl)propanedinitrile
SMILES: C=CC1=CC=C(C=C1)C(C#N)C#N

Molecular Processing

Molecular formula
C11H8N2
Molecular weight
168.2
Exact mass
168.0687
XLogP
2.46
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
50.5

Supplementary Information

InChIKey: XGPSSWREJPPVMA-UHFFFAOYSA-N
Synonyme
2-(4-vinyl-phenyl)-malononitrileSCHEMBL1327461XGPSSWREJPPVMA-UHFFFAOYSA-N
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