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
2.6777 -1.5566 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4967 -1.6854 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 -0.6344 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -0.8756 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7481 0.0755 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5875 1.3199 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 1.5629 0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6396 0.6007 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6226 2.3155 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4645 3.1105 -0.1757 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9332 -0.6227 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3655 -2.3916 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2721 -2.6388 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9229 -1.8337 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7107 -0.1155 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2314 2.5315 0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5607 0.8378 1.0020 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