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
-2.8813 -0.3969 -1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2172 0.2417 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7834 0.1446 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1806 0.8653 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1741 0.7898 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0106 0.0016 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.7200 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0506 -0.6439 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4216 -0.0560 0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5593 -0.0910 0.9576 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3474 -1.0496 -1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9472 -0.2771 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7747 0.8989 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8250 1.4972 1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6163 1.3709 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0611 -1.3475 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3658 -1.2280 -1.5842 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