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
-2.5838 -0.2747 1.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7949 -0.9654 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 -0.4055 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2095 0.9013 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 1.3529 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 0.5374 -1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.7695 -1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1833 -1.2245 -0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8752 1.0782 -1.9887 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8088 1.5140 -2.4812 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4454 -0.7446 1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3773 0.7569 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0357 -2.0260 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7626 1.5733 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2373 2.3993 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9015 -1.4329 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1378 -2.2702 -0.9785 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