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
-2.4133 -0.8384 -1.7005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1192 -0.6509 -1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3078 -0.2248 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 -0.0535 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8891 0.3474 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2824 0.5769 1.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0677 0.4230 1.6783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.0132 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1548 0.9987 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8646 1.3238 3.4008 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9623 -0.6829 -0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9273 -1.1544 -2.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 -0.8288 -2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5245 -0.2390 -1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9686 0.4768 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5185 0.6110 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9291 -0.0981 0.8039 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