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
2.9542 0.1800 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0530 -0.6895 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7074 -0.3307 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2375 0.9627 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0750 1.2712 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9407 0.2786 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4998 -1.0146 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2046 -1.3081 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3032 0.5591 0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4050 0.7663 1.1381 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7566 1.2419 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9591 -0.1061 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3400 -1.7338 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8749 1.7812 -0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4380 2.2978 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1734 -1.8225 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1571 -2.3334 0.0447 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