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
-2.2128 2.1799 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0289 0.8875 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7578 0.2119 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6741 -1.1684 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5220 -1.8289 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7081 -1.1286 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6237 0.2382 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4111 0.9104 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9622 -1.8123 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9787 -2.3688 0.6349 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3689 2.8278 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1994 2.6181 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9107 0.2679 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6020 -1.7058 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5754 -2.9144 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5434 0.7904 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4301 1.9951 0.0736 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