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
1.4220 -2.7231 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5062 -1.6216 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -0.5270 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 -0.5526 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2928 0.5157 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 1.6698 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1790 1.6994 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6791 0.6473 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0762 2.7906 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7875 3.6921 0.4219 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6724 -2.8512 1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1377 -3.5581 0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2972 -1.5591 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6017 -1.4077 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1051 0.5021 1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1011 2.6085 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4812 0.6749 -1.7184 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