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
3.0062 -0.3531 0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1088 0.5778 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7203 0.2916 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2437 -0.9919 0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1141 -1.1991 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -0.1779 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5220 1.1078 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 1.3386 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3982 -0.4057 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5322 -0.5861 -0.6811 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -1.4060 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0509 -0.0502 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4447 1.6321 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8960 -1.8576 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4774 -2.2026 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 1.9371 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1819 2.3452 0.1431 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