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
-3.0249 0.1617 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1794 -0.0102 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7353 -0.0192 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0436 -0.2081 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4113 -0.2192 1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0539 -0.0469 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2554 0.1409 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1234 0.1554 -0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4948 -0.0612 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6569 -0.0867 -0.1953 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1109 0.1574 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6961 0.3098 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6232 -0.1546 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4475 -0.3434 2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0449 -0.3692 2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6868 0.2850 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 0.3085 -1.8960 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