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
3.0745 0.5246 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1995 -0.3389 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7531 -0.2145 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0980 -1.2047 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 -1.1039 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0645 -0.0007 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2349 0.9940 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 0.8864 0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5055 0.1077 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6560 0.2089 0.2376 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7605 1.4446 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1489 0.3469 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5802 -1.2536 -0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3801 -2.0753 -1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1248 -1.8898 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6716 1.8815 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 1.6867 0.8268 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