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
-2.9161 -0.4251 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6842 -0.8082 -1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5360 -0.3297 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7422 -0.7755 -0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8546 -0.3522 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7648 0.5296 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5065 0.9774 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6194 0.5459 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9233 0.9701 1.6527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8586 1.3080 2.2469 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1556 0.2600 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7547 -0.8042 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5396 -1.5102 -2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8502 -1.4704 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8623 -0.6964 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4297 1.6619 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 0.9190 0.8614 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