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
2.7070 -1.0341 -1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 -1.3900 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5536 -0.5560 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4302 0.7357 -0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6908 1.5066 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7046 1.0153 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5812 -0.2774 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4695 -1.0306 0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 1.8166 0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7843 2.4444 1.1826 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5249 -1.7062 -1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7677 -0.0538 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7114 -2.4094 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 1.1644 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7834 2.5070 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3661 -0.6898 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 -2.0429 1.0690 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