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
-0.7145 2.6789 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1091 1.8732 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4644 0.6258 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9820 -0.1544 0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3564 -1.3289 1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7933 -1.7645 0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3028 -0.9963 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6555 0.1730 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 -2.9940 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 -4.0113 1.3591 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2195 3.5976 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1596 2.4211 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 2.1754 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8776 0.2179 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 -1.9138 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1867 -1.3284 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 0.7287 -1.5214 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