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
-0.6499 1.2972 2.7219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4166 0.1252 2.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1373 -0.0442 0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1324 -1.3161 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3971 -1.5180 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4143 -0.4827 -1.9584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1464 0.7706 -1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1252 0.9982 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6968 -0.7091 -3.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9123 -0.8795 -4.4794 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8558 1.3954 3.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6489 2.1865 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4293 -0.7565 2.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1168 -2.1218 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6086 -2.5217 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1584 1.5821 -2.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3201 1.9943 0.1962 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