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
-2.7126 1.2846 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 0.1901 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6872 -0.0132 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0340 -1.2082 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 -1.4781 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8483 -0.5217 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2041 0.6732 0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0567 0.9416 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1474 -0.7415 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1934 -0.8981 1.8063 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6684 1.3733 -1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 2.1074 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4556 -0.6219 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -1.9614 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 -2.4358 -0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7160 1.4135 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5275 1.8962 0.5712 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