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
2.4313 -0.0645 -2.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0809 -0.4206 -1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8110 -0.2064 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 0.6513 0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.8038 1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6980 0.1789 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5392 -0.6757 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 -0.8517 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9707 0.3529 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9899 0.4942 2.0219 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7022 0.2109 -3.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1987 0.5555 -2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8652 -0.9693 -0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5525 1.1742 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6913 1.4734 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4143 -1.1872 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 -1.5197 -1.7009 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