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
-1.8575 -2.4317 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6307 -2.0168 -0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1164 -0.7119 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 0.1950 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4197 1.4081 0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9082 1.7698 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 0.8343 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2185 -0.3879 -0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 3.0506 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8219 4.0812 1.2877 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5929 -1.8142 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1862 -3.4111 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0646 -2.7061 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9504 -0.0197 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0341 2.1540 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7494 1.1176 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8268 -1.1111 -1.0001 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