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
-1.9700 0.8038 2.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9536 0.2101 1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7269 0.0317 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7818 -0.6160 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3412 -0.7948 -1.6748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5857 -0.3537 -1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6580 0.2774 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5092 0.4607 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7424 -0.5690 -2.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6965 -0.7631 -2.7086 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0645 1.1862 2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8963 0.9378 2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8861 -0.1576 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7682 -0.9596 -1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3023 -1.3003 -2.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 0.6308 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6157 0.9755 1.6807 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