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
2.5706 -1.1937 -1.3288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0815 -0.8416 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7442 -0.2868 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2913 0.0666 1.2816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9676 0.5898 1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8457 0.7969 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4026 0.4494 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1176 -0.0869 -1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1606 1.3425 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2178 1.7860 0.7577 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5650 -1.6021 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -1.0843 -2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7289 -0.9768 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9453 -0.0776 2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3280 0.8689 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0601 0.5944 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -0.3446 -2.0433 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