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
2.9011 0.1593 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 -0.6772 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6750 -0.3555 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1568 -1.2918 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 -0.9768 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9354 0.2927 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1150 1.2440 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1968 0.9003 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2792 0.6142 0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3844 0.8952 1.1141 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6729 1.1599 -1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9173 -0.1683 -1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3863 -1.7041 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2707 -2.2924 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0856 -1.7346 1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4875 2.2384 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7956 1.6969 -0.8106 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