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
1.2542 -0.4470 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0139 -1.0897 1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 -0.4568 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 0.8537 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6752 1.3989 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8935 0.6573 -1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 -0.6576 -1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1318 -1.2018 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5505 1.2747 -2.8429 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0602 1.7710 -3.7530 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7558 -0.9679 3.5051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9941 0.5665 2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 -2.1453 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1040 1.4952 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9835 2.4428 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6703 -1.2388 -2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4556 -2.2552 -0.7303 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