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
2.8722 0.3749 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1199 -0.5271 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7244 -0.2917 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1256 0.9124 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 1.1237 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9772 0.1466 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3493 -1.0599 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -1.2974 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3587 0.3689 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4845 0.5374 1.1728 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5519 1.3730 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9202 0.1638 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5725 -1.5134 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6675 1.7280 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6939 2.0897 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9085 -1.8882 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4559 -2.2406 0.6427 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