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
0.0211 1.4587 2.7182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3018 1.6753 1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1562 0.6485 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6495 0.8776 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4965 -0.0681 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1428 -1.2978 -1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6273 -1.5194 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4690 -0.5499 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3036 -2.2338 -2.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4210 -3.0368 -3.5325 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4093 0.5170 3.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0864 2.2198 3.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7003 2.6662 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1408 1.8120 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8750 0.0785 -2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1308 -2.4564 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8817 -0.7913 1.6508 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