Monomers
4-Cyanostyrene
Identifiers
IUPAC name
4-ethenylbenzonitrile
InchI
InChI=1S/C9H7N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1H2
InchI Key
SNTUCKQYWGHZPK-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C#N
Canonical SMILES
C=CC1=CC=C(C=C1)C#N
Isomeric SMILES
C=CC1=CC=C(C=C1)C#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H7N
Heavy Atom Count
10
Molecular Weight
129.162
Exact Molecular Weight
129.0578
Valence Electrons
48
Radical Electrons
0
tPSA
23.79
MolLogP
2.2013
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
-2.9151 1.1037 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7039 1.4773 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5097 0.6723 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3113 -0.2863 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7258 -1.1355 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7721 -0.9686 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5830 -0.0642 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4807 0.7661 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8361 -1.8210 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8244 -2.6360 0.3182 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8902 1.0968 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7670 -0.1774 -0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 2.6148 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1899 -0.3102 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8959 -1.8785 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3168 0.0730 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 1.4737 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 3 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
8 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers