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
-2.6436 1.3583 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6738 1.4715 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5539 0.5518 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4067 -0.5205 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -1.3622 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6822 -1.1664 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5121 -0.0840 -1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4317 0.7644 -1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 -2.0311 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7345 -2.7464 -0.5299 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4699 2.0851 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6559 0.5686 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7152 2.3037 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1494 -0.7085 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8143 -2.1990 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2544 0.1124 -1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3133 1.6023 -1.6859 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