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
-2.6940 -1.2225 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2183 -0.0852 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8030 0.0603 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3042 1.2923 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0274 1.4547 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9452 0.4345 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4731 -0.7800 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1155 -0.9492 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3368 0.6111 -0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4555 0.7492 -1.0381 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7803 -1.2573 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -2.0965 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9106 0.7559 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9922 2.1241 -0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 2.4135 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 -1.5774 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1803 -1.9273 0.5921 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