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
2.6433 -1.6032 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0013 -0.5791 -0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 -0.1347 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0612 0.9577 -0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1683 1.4029 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8392 0.8003 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2254 -0.2773 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0179 -0.7242 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1195 1.2961 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1456 1.7107 1.2743 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2757 -2.1949 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6255 -1.9213 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4900 -0.0727 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5807 1.4322 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6558 2.2529 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 -0.7674 1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4914 -1.5779 1.1635 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