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
2.1799 -2.1124 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2299 -1.3793 1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3894 -0.4600 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4970 -0.2606 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3354 0.6341 -1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 1.3549 -0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4135 1.1563 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5994 0.2801 1.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1509 2.2666 -1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8443 2.9930 -2.1492 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7802 -2.7817 1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -2.0489 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0737 -1.4778 2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2509 -0.8133 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2337 0.7729 -2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1906 1.7385 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6971 0.1376 2.2290 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